5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline

C19H22N2O — CID 10266475

IUPAC5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline
SMILESCOc1cc(N)c(CC2c3ccccc3C=CN2C)cc1C
InChIInChI=1S/C19H22N2O/c1-13-10-15(17(20)12-19(13)22-3)11-18-16-7-5-4-6-14(16)8-9-21(18)2/h4-10,12,18H,11,20H2,1-3H3
InChIKeyPANOHMUYHXOPGL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.79
Rot. Bonds3

About 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline

5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline (PubChem CID 10266475) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline
PubChem CID10266475
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline
SMILESCOc1cc(N)c(CC2c3ccccc3C=CN2C)cc1C
InChIInChI=1S/C19H22N2O/c1-13-10-15(17(20)12-19(13)22-3)11-18-16-7-5-4-6-14(16)8-9-21(18)2/h4-10,12,18H,11,20H2,1-3H3
InChIKeyPANOHMUYHXOPGL-UHFFFAOYSA-N
XLogP3.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxy-5-methyl-2-nitrophenyl)methyl]-2-methyl-1H-isoquinoline
CID 10403977
(1S)-2-methyl-1-(nitromethyl)-1H-isoquinoline
CID 92856475
2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine
CID 142175548
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 17476047
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(2-methoxyanilino)acetyl]acetohydrazide
CID 55495931
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 43015825
N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-5-chloro-2-methoxybenzohydrazide
CID 9085252
2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
CID 783773
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9073401
3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one
CID 43912760
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline?
The IUPAC name of 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline (CID 10266475) is 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline.
What is the SMILES notation for 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline?
The canonical SMILES for 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline is COc1cc(N)c(CC2c3ccccc3C=CN2C)cc1C.
What is the InChIKey of 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline?
The InChIKey is PANOHMUYHXOPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-10-15(17(20)12-19(13)22-3)11-18-16-7-5-4-6-14(16)8-9-21(18)2/h4-10,12,18H,11,20H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline?
5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline has a molecular weight of 294.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-[(2-methyl-1H-isoquinolin-1-yl)methyl]aniline is sourced from PubChem (CID 10266475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).