2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine

C15H25N — CID 22955485

IUPAC2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
SMILESCCC(C)C(C)CNCCc1ccccc1
InChIInChI=1S/C15H25N/c1-4-13(2)14(3)12-16-11-10-15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3
InChIKeyOAPPYOYUIGEQEE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.50
Rot. Bonds7

About 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine

2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine (PubChem CID 22955485) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
PubChem CID22955485
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
SMILESCCC(C)C(C)CNCCc1ccccc1
InChIInChI=1S/C15H25N/c1-4-13(2)14(3)12-16-11-10-15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3
InChIKeyOAPPYOYUIGEQEE-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-N-(2-phenylethyl)pentan-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-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
CID 22955490
2-bromo-N-(2-phenylethyl)butan-1-amine
CID 21127993
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
2-bromo-N-(2-phenylethyl)propan-1-amine;hydrobromide
CID 21127990
3,4-dimethylhexylbenzene
CID 72602417
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
methyl 3-methyl-2-[(2-phenylethylamino)methyl]butanoate
CID 14442921
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine (CID 22955485) is 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine is CCC(C)C(C)CNCCc1ccccc1.
What is the InChIKey of 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine?
The InChIKey is OAPPYOYUIGEQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-13(2)14(3)12-16-11-10-15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine?
2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine is sourced from PubChem (CID 22955485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).