4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline

C18H22N2O — CID 1238859

IUPAC4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline
SMILESCOc1ccc(N)c(C[C@@H]2c3ccccc3CCN2C)c1
InChIInChI=1S/C18H22N2O/c1-20-10-9-13-5-3-4-6-16(13)18(20)12-14-11-15(21-2)7-8-17(14)19/h3-8,11,18H,9-10,12,19H2,1-2H3/t18-/m1/s1
InChIKeyJXUZONMCSRNDCO-GOSISDBHSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds3

About 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline

4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline (PubChem CID 1238859) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline
PubChem CID1238859
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline
SMILESCOc1ccc(N)c(C[C@@H]2c3ccccc3CCN2C)c1
InChIInChI=1S/C18H22N2O/c1-20-10-9-13-5-3-4-6-16(13)18(20)12-14-11-15(21-2)7-8-17(14)19/h3-8,11,18H,9-10,12,19H2,1-2H3/t18-/m1/s1
InChIKeyJXUZONMCSRNDCO-GOSISDBHSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
1-[(3,4-dimethoxy-2-nitrophenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 73047913
1-benzyl-2-methyl-1,3,4,5-tetrahydro-2-benzazepine;ethane;methoxymethane
CID 90792425
4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
CID 116995755
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propan-2-amine
CID 116995663
2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 53474649
6-methoxy-2-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 22960586
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995657
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995754
1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
CID 71396455
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
CID 116995680
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline?
The IUPAC name of 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline (CID 1238859) is 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline is COc1ccc(N)c(C[C@@H]2c3ccccc3CCN2C)c1.
What is the InChIKey of 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline?
The InChIKey is JXUZONMCSRNDCO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-10-9-13-5-3-4-6-16(13)18(20)12-14-11-15(21-2)7-8-17(14)19/h3-8,11,18H,9-10,12,19H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline?
4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline has a molecular weight of 282.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline is sourced from PubChem (CID 1238859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).