[3-(2-methylquinolin-6-yl)phenyl]methanamine

C17H16N2 — CID 81224971

IUPAC[3-(2-methylquinolin-6-yl)phenyl]methanamine
SMILESCc1ccc2cc(-c3cccc(CN)c3)ccc2n1
InChIInChI=1S/C17H16N2/c1-12-5-6-16-10-15(7-8-17(16)19-12)14-4-2-3-13(9-14)11-18/h2-10H,11,18H2,1H3
InChIKeyZRSNBFCFWYDTDF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.67
Rot. Bonds2

About [3-(2-methylquinolin-6-yl)phenyl]methanamine

[3-(2-methylquinolin-6-yl)phenyl]methanamine (PubChem CID 81224971) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-(2-methylquinolin-6-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylquinolin-6-yl)phenyl]methanamine
PubChem CID81224971
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name[3-(2-methylquinolin-6-yl)phenyl]methanamine
SMILESCc1ccc2cc(-c3cccc(CN)c3)ccc2n1
InChIInChI=1S/C17H16N2/c1-12-5-6-16-10-15(7-8-17(16)19-12)14-4-2-3-13(9-14)11-18/h2-10H,11,18H2,1H3
InChIKeyZRSNBFCFWYDTDF-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylquinolin-6-yl)phenyl]methanamine?
The IUPAC name of [3-(2-methylquinolin-6-yl)phenyl]methanamine (CID 81224971) is [3-(2-methylquinolin-6-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methylquinolin-6-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-methylquinolin-6-yl)phenyl]methanamine is Cc1ccc2cc(-c3cccc(CN)c3)ccc2n1.
What is the InChIKey of [3-(2-methylquinolin-6-yl)phenyl]methanamine?
The InChIKey is ZRSNBFCFWYDTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-5-6-16-10-15(7-8-17(16)19-12)14-4-2-3-13(9-14)11-18/h2-10H,11,18H2,1H3.
What are the key properties of [3-(2-methylquinolin-6-yl)phenyl]methanamine?
[3-(2-methylquinolin-6-yl)phenyl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylquinolin-6-yl)phenyl]methanamine is sourced from PubChem (CID 81224971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).