[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C19H24N2O — CID 82583930

IUPAC[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCOc1cccc(C2CN(C)C(CN)c3cccc(C)c32)c1
InChIInChI=1S/C19H24N2O/c1-13-6-4-9-16-18(11-20)21(2)12-17(19(13)16)14-7-5-8-15(10-14)22-3/h4-10,17-18H,11-12,20H2,1-3H3
InChIKeyIAUMATOTKPKWNW-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.08
Rot. Bonds3

About [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82583930) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82583930
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCOc1cccc(C2CN(C)C(CN)c3cccc(C)c32)c1
InChIInChI=1S/C19H24N2O/c1-13-6-4-9-16-18(11-20)21(2)12-17(19(13)16)14-7-5-8-15(10-14)22-3/h4-10,17-18H,11-12,20H2,1-3H3
InChIKeyIAUMATOTKPKWNW-UHFFFAOYSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine with MolForge

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Related Compounds

[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584768
[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584160
[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583874
3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one
CID 178074922
3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
[7-tert-butyl-4-(3-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584026
[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 121209485
(3aS,5S,9bR)-5-(3-methoxyphenyl)-3-methyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 67894801
3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran
CID 23113923
(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 71497003

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82583930) is [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is COc1cccc(C2CN(C)C(CN)c3cccc(C)c32)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is IAUMATOTKPKWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-6-4-9-16-18(11-20)21(2)12-17(19(13)16)14-7-5-8-15(10-14)22-3/h4-10,17-18H,11-12,20H2,1-3H3.
What are the key properties of [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 296.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82583930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).