N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene

C92H119F6N9O3S2 — CID 158906061

IUPACN-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1CC(F)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1.CNCc1ccccc1C(C)C
InChIInChI=1S/C13H16N2.C13H15NOS.C12H18N2.C12H13NOS.C11H13F3.C11H17N.C10H11F3O.C10H16N2/c1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-8(2)10-6-4-3-5-9(10)7-11(12,13)14;1-9(2)11-7-5-4-6-10(11)8-12-3;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3/h3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;4-7,9,12H,8H2,1-3H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3
InChIKeyJGBFAKHIDCYDIB-UHFFFAOYSA-N
MW1577.15 g/mol
LogP24.04
Rot. Bonds20

About N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene

N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 158906061) has the molecular formula C92H119F6N9O3S2 and a molecular weight of 1577.15 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID158906061
Molecular FormulaC92H119F6N9O3S2
Molecular Weight1577.15 g/mol
Exact Mass1575.88
IUPAC NameN-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1CC(F)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1.CNCc1ccccc1C(C)C
InChIInChI=1S/C13H16N2.C13H15NOS.C12H18N2.C12H13NOS.C11H13F3.C11H17N.C10H11F3O.C10H16N2/c1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-8(2)10-6-4-3-5-9(10)7-11(12,13)14;1-9(2)11-7-5-4-6-10(11)8-12-3;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3/h3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;4-7,9,12H,8H2,1-3H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3
InChIKeyJGBFAKHIDCYDIB-UHFFFAOYSA-N
XLogP24.04
TPSA124.13 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001577.15
LogP ≤ 524.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene with MolForge

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Related Compounds

N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 157194020
1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 158777518
1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(3-propan-2-ylphenyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 160659384
methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161357587
1-(1,1-difluoroethoxy)-2-propan-2-ylbenzene;1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one
CID 161708279
N-[[4-[4-amino-3-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-2-yl]-3-methylphenyl]methyl]prop-2-enamide
CID 172353473
N-[[4-[4-amino-7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]thieno[3,2-c]pyridin-2-yl]-3-methylphenyl]methyl]prop-2-enamide
CID 172353619
2,6-difluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 158147163

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 158906061) is N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene is CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1CC(F)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1.CNCc1ccccc1C(C)C.
What is the InChIKey of N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is JGBFAKHIDCYDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H15NOS.C12H18N2.C12H13NOS.C11H13F3.C11H17N.C10H11F3O.C10H16N2/c1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-8(2)10-6-4-3-5-9(10)7-11(12,13)14;1-9(2)11-7-5-4-6-10(11)8-12-3;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3/h3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;4-7,9,12H,8H2,1-3H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3.
What are the key properties of N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene?
N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 1577.15 g/mol, XLogP of 24.04, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 158906061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).