2-[benzyl(4-phenylbutyl)amino]ethanol

C19H25NO — CID 114334509

IUPAC2-[benzyl(4-phenylbutyl)amino]ethanol
SMILESOCCN(CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c21-16-15-20(17-19-12-5-2-6-13-19)14-8-7-11-18-9-3-1-4-10-18/h1-6,9-10,12-13,21H,7-8,11,14-17H2
InChIKeyVPCNKYAAMMBMRX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.50
Rot. Bonds9

About 2-[benzyl(4-phenylbutyl)amino]ethanol

2-[benzyl(4-phenylbutyl)amino]ethanol (PubChem CID 114334509) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[benzyl(4-phenylbutyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(4-phenylbutyl)amino]ethanol
PubChem CID114334509
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[benzyl(4-phenylbutyl)amino]ethanol
SMILESOCCN(CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c21-16-15-20(17-19-12-5-2-6-13-19)14-8-7-11-18-9-3-1-4-10-18/h1-6,9-10,12-13,21H,7-8,11,14-17H2
InChIKeyVPCNKYAAMMBMRX-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[benzyl(4-phenylbutyl)amino]ethanol 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-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(4-phenylbutyl)amino]ethanol?
The IUPAC name of 2-[benzyl(4-phenylbutyl)amino]ethanol (CID 114334509) is 2-[benzyl(4-phenylbutyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(4-phenylbutyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(4-phenylbutyl)amino]ethanol is OCCN(CCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(4-phenylbutyl)amino]ethanol?
The InChIKey is VPCNKYAAMMBMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-16-15-20(17-19-12-5-2-6-13-19)14-8-7-11-18-9-3-1-4-10-18/h1-6,9-10,12-13,21H,7-8,11,14-17H2.
What are the key properties of 2-[benzyl(4-phenylbutyl)amino]ethanol?
2-[benzyl(4-phenylbutyl)amino]ethanol has a molecular weight of 283.42 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(4-phenylbutyl)amino]ethanol is sourced from PubChem (CID 114334509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).