7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine

C138H168Cl2F17N13O3 — CID 157449104

IUPAC7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESCN1CCC(c2cccc(F)c2)CC1.CN1CCC2(C=Cc3ccccc32)CC1.CN1CCC2(CCc3ccccc32)CC1.CN1CCCC(c2cccc(C(F)(F)F)c2)C1.CN1CCOC(c2ccc(Cl)cc2)C1.CN1CCOC(c2ccccc2)C1.CN1CCc2ccc(C(F)(F)F)cc2C1.CN1CCc2ccc(Cl)cc2C1.CN1CCc2ccc(F)cc2C1.CN1CCc2ccc(OC(F)(F)F)cc2C1.CN1CCc2cccc(C(F)(F)F)c2C1.CN1CCc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C14H19N.C14H17N.C13H16F3N.C12H16FN.C11H14ClNO.C11H12F3NO.2C11H12F3N.C11H15NO.C10H12ClN.C10H11F3N2.C10H12FN/c2*1-15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14;1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11;1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9;1-15-5-4-8-2-3-10(6-9(8)7-15)16-11(12,13)14;1-15-5-4-8-2-3-10(11(12,13)14)6-9(8)7-15;1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14;1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;1-12-5-4-8-2-3-10(11)6-9(8)7-12;1-15-3-2-9-7(6-15)4-8(5-14-9)10(11,12)13;1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-5H,6-11H2,1H3;2-7H,8-11H2,1H3;2,4,6,8,11H,3,5,7,9H2,1H3;2-4,9-10H,5-8H2,1H3;2-5,11H,6-8H2,1H3;2-3,6H,4-5,7H2,1H3;2-3,6H,4-5,7H2,1H3;2-4H,5-7H2,1H3;2-6,11H,7-9H2,1H3;2-3,6H,4-5,7H2,1H3;4-5H,2-3,6H2,1H3;2-3,6H,4-5,7H2,1H3
InChIKeyBSOWKFKFTXVVRL-UHFFFAOYSA-N
MW2450.82 g/mol
LogP29.64
Rot. Bonds5

About 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine

7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine (PubChem CID 157449104) has the molecular formula C138H168Cl2F17N13O3 and a molecular weight of 2450.82 g/mol. Its IUPAC name is 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
PubChem CID157449104
Molecular FormulaC138H168Cl2F17N13O3
Molecular Weight2450.82 g/mol
Exact Mass2448.25
IUPAC Name7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESCN1CCC(c2cccc(F)c2)CC1.CN1CCC2(C=Cc3ccccc32)CC1.CN1CCC2(CCc3ccccc32)CC1.CN1CCCC(c2cccc(C(F)(F)F)c2)C1.CN1CCOC(c2ccc(Cl)cc2)C1.CN1CCOC(c2ccccc2)C1.CN1CCc2ccc(C(F)(F)F)cc2C1.CN1CCc2ccc(Cl)cc2C1.CN1CCc2ccc(F)cc2C1.CN1CCc2ccc(OC(F)(F)F)cc2C1.CN1CCc2cccc(C(F)(F)F)c2C1.CN1CCc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C14H19N.C14H17N.C13H16F3N.C12H16FN.C11H14ClNO.C11H12F3NO.2C11H12F3N.C11H15NO.C10H12ClN.C10H11F3N2.C10H12FN/c2*1-15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14;1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11;1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9;1-15-5-4-8-2-3-10(6-9(8)7-15)16-11(12,13)14;1-15-5-4-8-2-3-10(11(12,13)14)6-9(8)7-15;1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14;1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;1-12-5-4-8-2-3-10(11)6-9(8)7-12;1-15-3-2-9-7(6-15)4-8(5-14-9)10(11,12)13;1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-5H,6-11H2,1H3;2-7H,8-11H2,1H3;2,4,6,8,11H,3,5,7,9H2,1H3;2-4,9-10H,5-8H2,1H3;2-5,11H,6-8H2,1H3;2-3,6H,4-5,7H2,1H3;2-3,6H,4-5,7H2,1H3;2-4H,5-7H2,1H3;2-6,11H,7-9H2,1H3;2-3,6H,4-5,7H2,1H3;4-5H,2-3,6H2,1H3;2-3,6H,4-5,7H2,1H3
InChIKeyBSOWKFKFTXVVRL-UHFFFAOYSA-N
XLogP29.64
TPSA79.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.82
LogP ≤ 529.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine with MolForge

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Related Compounds

[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol;2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 157957132
7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 158187226
1-[(3-chloro-2-fluorophenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-1-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine;1-[(3,4-dimethylphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,3,4-trifluorophenyl)methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine;1-methoxy-4-[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene;1-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene
CID 158435920
CID 158718040
CID 158718040
CID 161031809
CID 161031809
6-Chloro-2,3-dimethylpyridine;4-chloro-2-propan-2-ylpyridine;1,2-difluoro-3,4-dimethylbenzene;1,2-difluoro-4,5-dimethylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,3-dimethylpyridine);1-fluoro-2,3-dimethylbenzene;tris(4-fluoro-1,2-dimethylbenzene);1-fluoro-3-methyl-2-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;(6-methyl-2-pyridinyl)methanol;2-phenyl-6-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 161049805
tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine
CID 161327582
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-2,2,2-trifluoro-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-2,2,2-trifluoro-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]propan-2-amine;N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]propan-2-amine;N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]propan-2-amine;(1R)-N-methyl-1-(4-methylphenyl)-1-pyridin-2-yl-N-[[1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]methanamine
CID 161397764
(3S,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)-4-propan-2-ylpiperidine;(3R,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)-4-propan-2-ylpiperidine;4-tert-butyl-1-[(3-chloro-4-phenylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(3-methyl-4-phenylphenyl)methyl]piperidine;4-(isocyanomethyl)-1-[(3-methoxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidine;5-[[4-(isocyanomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-phenylbenzonitrile;5-[[4-(isocyanomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]pyridine
CID 161791816
2-Tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine
CID 167701132
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol;(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(R)-[(2R)-piperidin-2-yl]-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 173883209
CID 157884472
CID 157884472

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine (CID 157449104) is 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine is CN1CCC(c2cccc(F)c2)CC1.CN1CCC2(C=Cc3ccccc32)CC1.CN1CCC2(CCc3ccccc32)CC1.CN1CCCC(c2cccc(C(F)(F)F)c2)C1.CN1CCOC(c2ccc(Cl)cc2)C1.CN1CCOC(c2ccccc2)C1.CN1CCc2ccc(C(F)(F)F)cc2C1.CN1CCc2ccc(Cl)cc2C1.CN1CCc2ccc(F)cc2C1.CN1CCc2ccc(OC(F)(F)F)cc2C1.CN1CCc2cccc(C(F)(F)F)c2C1.CN1CCc2ncc(C(F)(F)F)cc2C1.
What is the InChIKey of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is BSOWKFKFTXVVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C14H17N.C13H16F3N.C12H16FN.C11H14ClNO.C11H12F3NO.2C11H12F3N.C11H15NO.C10H12ClN.C10H11F3N2.C10H12FN/c2*1-15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14;1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11;1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9;1-15-5-4-8-2-3-10(6-9(8)7-15)16-11(12,13)14;1-15-5-4-8-2-3-10(11(12,13)14)6-9(8)7-15;1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14;1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;1-12-5-4-8-2-3-10(11)6-9(8)7-12;1-15-3-2-9-7(6-15)4-8(5-14-9)10(11,12)13;1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-5H,6-11H2,1H3;2-7H,8-11H2,1H3;2,4,6,8,11H,3,5,7,9H2,1H3;2-4,9-10H,5-8H2,1H3;2-5,11H,6-8H2,1H3;2-3,6H,4-5,7H2,1H3;2-3,6H,4-5,7H2,1H3;2-4H,5-7H2,1H3;2-6,11H,7-9H2,1H3;2-3,6H,4-5,7H2,1H3;4-5H,2-3,6H2,1H3;2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine has a molecular weight of 2450.82 g/mol, XLogP of 29.64, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 157449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).