N-benzyl-5-phenylpentan-1-amine

C18H23N — CID 18790272

IUPACN-benzyl-5-phenylpentan-1-amine
SMILESc1ccc(CCCCCNCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h1-2,4-7,10-11,13-14,19H,3,8-9,12,15-16H2
InChIKeySHLQXYASXAHMIS-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.19
Rot. Bonds8

About N-benzyl-5-phenylpentan-1-amine

N-benzyl-5-phenylpentan-1-amine (PubChem CID 18790272) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-benzyl-5-phenylpentan-1-amine.

Molecular Properties

Compound NameN-benzyl-5-phenylpentan-1-amine
PubChem CID18790272
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-benzyl-5-phenylpentan-1-amine
SMILESc1ccc(CCCCCNCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h1-2,4-7,10-11,13-14,19H,3,8-9,12,15-16H2
InChIKeySHLQXYASXAHMIS-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-5-phenylpentan-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenylpentan-1-amine?
The IUPAC name of N-benzyl-5-phenylpentan-1-amine (CID 18790272) is N-benzyl-5-phenylpentan-1-amine.
What is the SMILES notation for N-benzyl-5-phenylpentan-1-amine?
The canonical SMILES for N-benzyl-5-phenylpentan-1-amine is c1ccc(CCCCCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-5-phenylpentan-1-amine?
The InChIKey is SHLQXYASXAHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h1-2,4-7,10-11,13-14,19H,3,8-9,12,15-16H2.
What are the key properties of N-benzyl-5-phenylpentan-1-amine?
N-benzyl-5-phenylpentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenylpentan-1-amine is sourced from PubChem (CID 18790272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).