1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine

C15H25N — CID 79412449

IUPAC1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-5-6-10-15(16-12(2)3)14-9-7-8-13(4)11-14/h7-9,11-12,15-16H,5-6,10H2,1-4H3
InChIKeyPAQKYTFGQZRGBF-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.22
Rot. Bonds6

About 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine

1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine (PubChem CID 79412449) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine
PubChem CID79412449
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-5-6-10-15(16-12(2)3)14-9-7-8-13(4)11-14/h7-9,11-12,15-16H,5-6,10H2,1-4H3
InChIKeyPAQKYTFGQZRGBF-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-methylphenyl)-N-propan-2-ylpentan-1-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

3-(3-methylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 83820333
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
CID 79411882
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79411536
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
methyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanoate
CID 103980274
1-(3-methylphenyl)decan-1-ol
CID 63411280
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine (CID 79412449) is 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine is CCCCC(NC(C)C)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is PAQKYTFGQZRGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-10-15(16-12(2)3)14-9-7-8-13(4)11-14/h7-9,11-12,15-16H,5-6,10H2,1-4H3.
What are the key properties of 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine?
1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79412449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).