2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine

C25H24N2O2 — CID 71450679

IUPAC2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine
SMILESCOc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CCN)c2cc1OC
InChIInChI=1S/C25H24N2O2/c1-28-24-15-20-14-23(27-22(11-12-26)21(20)16-25(24)29-2)19-10-6-9-18(13-19)17-7-4-3-5-8-17/h3-10,13-16H,11-12,26H2,1-2H3
InChIKeyBJVYPNNQZGVJAV-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.09
Rot. Bonds6

About 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine

2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine (PubChem CID 71450679) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine
PubChem CID71450679
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine
SMILESCOc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CCN)c2cc1OC
InChIInChI=1S/C25H24N2O2/c1-28-24-15-20-14-23(27-22(11-12-26)21(20)16-25(24)29-2)19-10-6-9-18(13-19)17-7-4-3-5-8-17/h3-10,13-16H,11-12,26H2,1-2H3
InChIKeyBJVYPNNQZGVJAV-UHFFFAOYSA-N
XLogP5.09
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[N'-[[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 70651042
N'-[[3-(3-tert-butylphenyl)-6,7-dimethoxyisoquinolin-1-yl]methyl]ethanimidamide
CID 70651446
1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline
CID 134913602
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
3-(2-methoxy-5-phenylphenyl)propan-1-amine
CID 170867885
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
3-(3,4-dichlorophenyl)-6,7-dimethoxy-1-methylisoquinoline
CID 25165022
6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine?
The IUPAC name of 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine (CID 71450679) is 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine.
What is the SMILES notation for 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine?
The canonical SMILES for 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine is COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CCN)c2cc1OC.
What is the InChIKey of 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine?
The InChIKey is BJVYPNNQZGVJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-28-24-15-20-14-23(27-22(11-12-26)21(20)16-25(24)29-2)19-10-6-9-18(13-19)17-7-4-3-5-8-17/h3-10,13-16H,11-12,26H2,1-2H3.
What are the key properties of 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine?
2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine has a molecular weight of 384.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine is sourced from PubChem (CID 71450679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).