1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine

C16H20N2 — CID 105092013

IUPAC1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
SMILESCc1ccccc1CC(N)CCc1ccncc1
InChIInChI=1S/C16H20N2/c1-13-4-2-3-5-15(13)12-16(17)7-6-14-8-10-18-11-9-14/h2-5,8-11,16H,6-7,12,17H2,1H3
InChIKeyWJVFNZPFTVOGKO-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine

1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine (PubChem CID 105092013) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
PubChem CID105092013
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
SMILESCc1ccccc1CC(N)CCc1ccncc1
InChIInChI=1S/C16H20N2/c1-13-4-2-3-5-15(13)12-16(17)7-6-14-8-10-18-11-9-14/h2-5,8-11,16H,6-7,12,17H2,1H3
InChIKeyWJVFNZPFTVOGKO-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine 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

4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
7-(2-methylphenyl)heptane-1,6-diamine
CID 154389351
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
[4-(2-methylphenyl)-1-pyridin-4-ylbutan-2-yl]hydrazine
CID 105317453
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine (CID 105092013) is 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine is Cc1ccccc1CC(N)CCc1ccncc1.
What is the InChIKey of 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine?
The InChIKey is WJVFNZPFTVOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-4-2-3-5-15(13)12-16(17)7-6-14-8-10-18-11-9-14/h2-5,8-11,16H,6-7,12,17H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine?
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105092013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).