[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine

C17H16N2O — CID 116995305

IUPAC[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine
SMILESCOc1ccc2ccnc(-c3cccc(CN)c3)c2c1
InChIInChI=1S/C17H16N2O/c1-20-15-6-5-13-7-8-19-17(16(13)10-15)14-4-2-3-12(9-14)11-18/h2-10H,11,18H2,1H3
InChIKeySUPYUVYULFWXBF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.37
Rot. Bonds3

About [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine

[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine (PubChem CID 116995305) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine
PubChem CID116995305
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine
SMILESCOc1ccc2ccnc(-c3cccc(CN)c3)c2c1
InChIInChI=1S/C17H16N2O/c1-20-15-6-5-13-7-8-19-17(16(13)10-15)14-4-2-3-12(9-14)11-18/h2-10H,11,18H2,1H3
InChIKeySUPYUVYULFWXBF-UHFFFAOYSA-N
XLogP3.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-phenylisoquinoline
CID 86087026
1-chloroisoquinoline;1-(3-methoxyphenyl)isoquinoline
CID 175032072
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
CID 122443315
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70196692
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583836
1-ethyl-7-methoxyisoquinoline
CID 119092688
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 16774759
7-methoxyisoquinoline-1-sulfonamide
CID 106541871
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337

Frequently Asked Questions

What is the IUPAC name of [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine?
The IUPAC name of [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine (CID 116995305) is [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine is COc1ccc2ccnc(-c3cccc(CN)c3)c2c1.
What is the InChIKey of [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine?
The InChIKey is SUPYUVYULFWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-15-6-5-13-7-8-19-17(16(13)10-15)14-4-2-3-12(9-14)11-18/h2-10H,11,18H2,1H3.
What are the key properties of [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine?
[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine is sourced from PubChem (CID 116995305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).