2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine

C18H19N3 — CID 63377115

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
SMILESCc1ccccc1N(C)c1cc(CN)nc2ccccc12
InChIInChI=1S/C18H19N3/c1-13-7-3-6-10-17(13)21(2)18-11-14(12-19)20-16-9-5-4-8-15(16)18/h3-11H,12,19H2,1-2H3
InChIKeyGSJJTACKWGYUPO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.77
Rot. Bonds3

About 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine

2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine (PubChem CID 63377115) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
PubChem CID63377115
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
SMILESCc1ccccc1N(C)c1cc(CN)nc2ccccc12
InChIInChI=1S/C18H19N3/c1-13-7-3-6-10-17(13)21(2)18-11-14(12-19)20-16-9-5-4-8-15(16)18/h3-11H,12,19H2,1-2H3
InChIKeyGSJJTACKWGYUPO-UHFFFAOYSA-N
XLogP3.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine (CID 63377115) is 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine is Cc1ccccc1N(C)c1cc(CN)nc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine?
The InChIKey is GSJJTACKWGYUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-7-3-6-10-17(13)21(2)18-11-14(12-19)20-16-9-5-4-8-15(16)18/h3-11H,12,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine?
2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine is sourced from PubChem (CID 63377115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).