2-(3-methylphenyl)-N,2-dipropylpentan-1-amine

C18H31N — CID 63510909

IUPAC2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
SMILESCCCNCC(CCC)(CCC)c1cccc(C)c1
InChIInChI=1S/C18H31N/c1-5-11-18(12-6-2,15-19-13-7-3)17-10-8-9-16(4)14-17/h8-10,14,19H,5-7,11-13,15H2,1-4H3
InChIKeySCVRMZOFHCLXMF-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.83
Rot. Bonds9

About 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine

2-(3-methylphenyl)-N,2-dipropylpentan-1-amine (PubChem CID 63510909) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
PubChem CID63510909
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
SMILESCCCNCC(CCC)(CCC)c1cccc(C)c1
InChIInChI=1S/C18H31N/c1-5-11-18(12-6-2,15-19-13-7-3)17-10-8-9-16(4)14-17/h8-10,14,19H,5-7,11-13,15H2,1-4H3
InChIKeySCVRMZOFHCLXMF-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methylphenyl)-N,2-dipropylpentan-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

2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 63511272
2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 63517133
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
1-[1-bromo-2-(bromomethyl)hexan-2-yl]-3-methylbenzene
CID 79456306
2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63512435
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001
1-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methylbenzene
CID 79453481
3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
CID 105449357
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine (CID 63510909) is 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine is CCCNCC(CCC)(CCC)c1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine?
The InChIKey is SCVRMZOFHCLXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-11-18(12-6-2,15-19-13-7-3)17-10-8-9-16(4)14-17/h8-10,14,19H,5-7,11-13,15H2,1-4H3.
What are the key properties of 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine?
2-(3-methylphenyl)-N,2-dipropylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N,2-dipropylpentan-1-amine is sourced from PubChem (CID 63510909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).