1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

C16H20N2 — CID 54941173

IUPAC1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCc1ccccc1C(C)NCCc1ccncc1
InChIInChI=1S/C16H20N2/c1-13-5-3-4-6-16(13)14(2)18-12-9-15-7-10-17-11-8-15/h3-8,10-11,14,18H,9,12H2,1-2H3
InChIKeyGESCMXFDWJGOPD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.28
Rot. Bonds5

About 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 54941173) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID54941173
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCc1ccccc1C(C)NCCc1ccncc1
InChIInChI=1S/C16H20N2/c1-13-5-3-4-6-16(13)14(2)18-12-9-15-7-10-17-11-8-15/h3-8,10-11,14,18H,9,12H2,1-2H3
InChIKeyGESCMXFDWJGOPD-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 65197319
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 54941173) is 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is Cc1ccccc1C(C)NCCc1ccncc1.
What is the InChIKey of 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is GESCMXFDWJGOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-5-3-4-6-16(13)14(2)18-12-9-15-7-10-17-11-8-15/h3-8,10-11,14,18H,9,12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 54941173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).