N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine

C252H284F6N12O6 — CID 158109496

IUPACN,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine
SMILESCC(C)c1[nH]c(=O)cc2cc(F)ccc12.CC(C)c1c(C#N)ccc2ccccc12.CC(C)c1c(C(F)(F)F)ccc2ccccc12.CC(C)c1c2ccc(F)cc2cc(=O)n1C.CC(C)c1cnc(N(C)C)c2ccccc12.COc1ccc2ccccc2c1C(C)C.COc1nc(C)c(C(C)C)c2ccccc12.COc1ncc(C(C)C)c2ccccc12.Cc1cc(C)c2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)c(C)ccc2c1.Cc1ccc2c(F)cccc2c1C(C)C.Cc1ccc2ccc(C#N)cc2c1C(C)C.Cc1ccc2ccc(C(N)=O)cc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1nc(N(C)C)c2ccccc2c1C(C)C.Cc1ncc2ccccc2c1C(C)C
InChIInChI=1S/C15H20N2.C15H17NO.C15H15N.2C15H18.C14H13F3.C14H15F.C14H18N2.C14H17NO.C14H13N.C14H16O.3C14H16.C13H14FNO.C13H15NO.C13H15N.C12H12FNO/c1-10(2)14-11(3)16-15(17(4)5)13-9-7-6-8-12(13)14;1-9(2)14-10(3)4-5-11-6-7-12(15(16)17)8-13(11)14;1-10(2)15-11(3)4-6-13-7-5-12(9-16)8-14(13)15;1-10(2)15-12(4)6-7-13-9-11(3)5-8-14(13)15;1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14(15,16)17;1-9(2)14-10(3)7-8-11-12(14)5-4-6-13(11)15;1-10(2)13-9-15-14(16(3)4)12-8-6-5-7-11(12)13;1-9(2)13-10(3)15-14(16-4)12-8-6-5-7-11(12)13;1-10(2)14-12(9-15)8-7-11-5-3-4-6-13(11)14;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;3*1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)13-11-5-4-10(14)6-9(11)7-12(16)15(13)3;1-9(2)12-8-14-13(15-3)11-7-5-4-6-10(11)12;1-9(2)13-10(3)14-8-11-6-4-5-7-12(11)13;1-7(2)12-10-4-3-9(13)5-8(10)6-11(15)14-12/h6-10H,1-5H3;4-9H,1-3H3,(H2,16,17);4-8,10H,1-3H3;2*5-10H,1-4H3;3-9H,1-2H3;4-9H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;3-8,10H,1-2H3;4-10H,1-3H3;3*4-10H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-9H,1-3H3;3-7H,1-2H3,(H,14,15)
InChIKeyFQGCBTMGVHHZQO-UHFFFAOYSA-N
MW3691.11 g/mol
LogP70.15
Rot. Bonds24

About N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine

N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine (PubChem CID 158109496) has the molecular formula C252H284F6N12O6 and a molecular weight of 3691.11 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine
PubChem CID158109496
Molecular FormulaC252H284F6N12O6
Molecular Weight3691.11 g/mol
Exact Mass3688.22
IUPAC NameN,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine
SMILESCC(C)c1[nH]c(=O)cc2cc(F)ccc12.CC(C)c1c(C#N)ccc2ccccc12.CC(C)c1c(C(F)(F)F)ccc2ccccc12.CC(C)c1c2ccc(F)cc2cc(=O)n1C.CC(C)c1cnc(N(C)C)c2ccccc12.COc1ccc2ccccc2c1C(C)C.COc1nc(C)c(C(C)C)c2ccccc12.COc1ncc(C(C)C)c2ccccc12.Cc1cc(C)c2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)c(C)ccc2c1.Cc1ccc2c(F)cccc2c1C(C)C.Cc1ccc2ccc(C#N)cc2c1C(C)C.Cc1ccc2ccc(C(N)=O)cc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1nc(N(C)C)c2ccccc2c1C(C)C.Cc1ncc2ccccc2c1C(C)C
InChIInChI=1S/C15H20N2.C15H17NO.C15H15N.2C15H18.C14H13F3.C14H15F.C14H18N2.C14H17NO.C14H13N.C14H16O.3C14H16.C13H14FNO.C13H15NO.C13H15N.C12H12FNO/c1-10(2)14-11(3)16-15(17(4)5)13-9-7-6-8-12(13)14;1-9(2)14-10(3)4-5-11-6-7-12(15(16)17)8-13(11)14;1-10(2)15-11(3)4-6-13-7-5-12(9-16)8-14(13)15;1-10(2)15-12(4)6-7-13-9-11(3)5-8-14(13)15;1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14(15,16)17;1-9(2)14-10(3)7-8-11-12(14)5-4-6-13(11)15;1-10(2)13-9-15-14(16(3)4)12-8-6-5-7-11(12)13;1-9(2)13-10(3)15-14(16-4)12-8-6-5-7-11(12)13;1-10(2)14-12(9-15)8-7-11-5-3-4-6-13(11)14;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;3*1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)13-11-5-4-10(14)6-9(11)7-12(16)15(13)3;1-9(2)12-8-14-13(15-3)11-7-5-4-6-10(11)12;1-9(2)13-10(3)14-8-11-6-4-5-7-12(11)13;1-7(2)12-10-4-3-9(13)5-8(10)6-11(15)14-12/h6-10H,1-5H3;4-9H,1-3H3,(H2,16,17);4-8,10H,1-3H3;2*5-10H,1-4H3;3-9H,1-2H3;4-9H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;3-8,10H,1-2H3;4-10H,1-3H3;3*4-10H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-9H,1-3H3;3-7H,1-2H3,(H,14,15)
InChIKeyFQGCBTMGVHHZQO-UHFFFAOYSA-N
XLogP70.15
TPSA244.15 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003691.11
LogP ≤ 570.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine with MolForge

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Related Compounds

2-(6-Methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119098978
2-(6-Methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 119098980
(1-Methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098989
1-[4-cyano-3-[2-[2-[[1-[6-[2-[2-[[1-(5-cyano-2-pyridinyl)piperidine-4-carbonyl]amino]ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-yl]phenyl]-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide
CID 154946226
2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
CID 157116446
N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 157270916
N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 157569777
3-[2-[2-[[2-Methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide
CID 157769333
N-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 157959664
(E)-1-(4-benzylpiperazin-1-yl)-3-(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-en-1-one;(E)-1-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-en-1-one;(E)-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-en-1-one;(E)-1-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-en-1-one;(E)-1-[4-(4-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-en-1-one;(E)-3-(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 158260000
7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen
CID 158635714
1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 159556190

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine?
The IUPAC name of N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine (CID 158109496) is N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine is CC(C)c1[nH]c(=O)cc2cc(F)ccc12.CC(C)c1c(C#N)ccc2ccccc12.CC(C)c1c(C(F)(F)F)ccc2ccccc12.CC(C)c1c2ccc(F)cc2cc(=O)n1C.CC(C)c1cnc(N(C)C)c2ccccc12.COc1ccc2ccccc2c1C(C)C.COc1nc(C)c(C(C)C)c2ccccc12.COc1ncc(C(C)C)c2ccccc12.Cc1cc(C)c2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)c(C)ccc2c1.Cc1ccc2c(F)cccc2c1C(C)C.Cc1ccc2ccc(C#N)cc2c1C(C)C.Cc1ccc2ccc(C(N)=O)cc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1ccc2ccccc2c1C(C)C.Cc1nc(N(C)C)c2ccccc2c1C(C)C.Cc1ncc2ccccc2c1C(C)C.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine?
The InChIKey is FQGCBTMGVHHZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C15H17NO.C15H15N.2C15H18.C14H13F3.C14H15F.C14H18N2.C14H17NO.C14H13N.C14H16O.3C14H16.C13H14FNO.C13H15NO.C13H15N.C12H12FNO/c1-10(2)14-11(3)16-15(17(4)5)13-9-7-6-8-12(13)14;1-9(2)14-10(3)4-5-11-6-7-12(15(16)17)8-13(11)14;1-10(2)15-11(3)4-6-13-7-5-12(9-16)8-14(13)15;1-10(2)15-12(4)6-7-13-9-11(3)5-8-14(13)15;1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14(15,16)17;1-9(2)14-10(3)7-8-11-12(14)5-4-6-13(11)15;1-10(2)13-9-15-14(16(3)4)12-8-6-5-7-11(12)13;1-9(2)13-10(3)15-14(16-4)12-8-6-5-7-11(12)13;1-10(2)14-12(9-15)8-7-11-5-3-4-6-13(11)14;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;3*1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)13-11-5-4-10(14)6-9(11)7-12(16)15(13)3;1-9(2)12-8-14-13(15-3)11-7-5-4-6-10(11)12;1-9(2)13-10(3)14-8-11-6-4-5-7-12(11)13;1-7(2)12-10-4-3-9(13)5-8(10)6-11(15)14-12/h6-10H,1-5H3;4-9H,1-3H3,(H2,16,17);4-8,10H,1-3H3;2*5-10H,1-4H3;3-9H,1-2H3;4-9H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;3-8,10H,1-2H3;4-10H,1-3H3;3*4-10H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-9H,1-3H3;3-7H,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine?
N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine has a molecular weight of 3691.11 g/mol, XLogP of 70.15, 24 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine is sourced from PubChem (CID 158109496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).