[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine

C18H22N2O — CID 145042907

IUPAC[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
SMILESCOc1cccc2c1CCN(Cc1ccc(CN)cc1)C2
InChIInChI=1S/C18H22N2O/c1-21-18-4-2-3-16-13-20(10-9-17(16)18)12-15-7-5-14(11-19)6-8-15/h2-8H,9-13,19H2,1H3
InChIKeyPKEQRFDJIFYZIW-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.71
Rot. Bonds4

About [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine

[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine (PubChem CID 145042907) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
PubChem CID145042907
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
SMILESCOc1cccc2c1CCN(Cc1ccc(CN)cc1)C2
InChIInChI=1S/C18H22N2O/c1-21-18-4-2-3-16-13-20(10-9-17(16)18)12-15-7-5-14(11-19)6-8-15/h2-8H,9-13,19H2,1H3
InChIKeyPKEQRFDJIFYZIW-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine with MolForge

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Related Compounds

5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 145042994
2-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 75519706
N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 166718904
(1S)-1-[4-[(5-cyclobutyloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethanamine;iodomethane
CID 157100368
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 100626262
4-methoxy-1,3-dihydroisoindol-2-amine
CID 125426011
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
N-[[4-[(5-cyclobutyloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]prop-1-en-2-amine
CID 145043141
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
tert-butyl N-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110456851

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine (CID 145042907) is [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine is COc1cccc2c1CCN(Cc1ccc(CN)cc1)C2.
What is the InChIKey of [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine?
The InChIKey is PKEQRFDJIFYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-4-2-3-16-13-20(10-9-17(16)18)12-15-7-5-14(11-19)6-8-15/h2-8H,9-13,19H2,1H3.
What are the key properties of [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine?
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 145042907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).