4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine

C17H22N2 — CID 61171888

IUPAC4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2ccccn2)c1
InChIInChI=1S/C17H22N2/c1-14-6-5-7-16(12-14)10-9-15(2)19-13-17-8-3-4-11-18-17/h3-8,11-12,15,19H,9-10,13H2,1-2H3
InChIKeyXCQRYXCXDBGQCU-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.50
Rot. Bonds6

About 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine

4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine (PubChem CID 61171888) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
PubChem CID61171888
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2ccccn2)c1
InChIInChI=1S/C17H22N2/c1-14-6-5-7-16(12-14)10-9-15(2)19-13-17-8-3-4-11-18-17/h3-8,11-12,15,19H,9-10,13H2,1-2H3
InChIKeyXCQRYXCXDBGQCU-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-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

N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
CID 62367106
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 103275194
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine (CID 61171888) is 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine is Cc1cccc(CCC(C)NCc2ccccn2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
The InChIKey is XCQRYXCXDBGQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-6-5-7-16(12-14)10-9-15(2)19-13-17-8-3-4-11-18-17/h3-8,11-12,15,19H,9-10,13H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine?
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 61171888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).