1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine

C19H20N2 — CID 63850384

IUPAC1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-14-7-9-16(10-8-14)15(2)21-13-17-11-12-20-19-6-4-3-5-18(17)19/h3-12,15,21H,13H2,1-2H3
InChIKeyLGHFFICVHLPANH-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine

1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 63850384) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
PubChem CID63850384
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-14-7-9-16(10-8-14)15(2)21-13-17-11-12-20-19-6-4-3-5-18(17)19/h3-12,15,21H,13H2,1-2H3
InChIKeyLGHFFICVHLPANH-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine (CID 63850384) is 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2ccnc3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is LGHFFICVHLPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-7-9-16(10-8-14)15(2)21-13-17-11-12-20-19-6-4-3-5-18(17)19/h3-12,15,21H,13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 63850384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).