5-(4-phenylbutylamino)pentan-1-ol

C15H25NO — CID 107317257

IUPAC5-(4-phenylbutylamino)pentan-1-ol
SMILESOCCCCCNCCCCc1ccccc1
InChIInChI=1S/C15H25NO/c17-14-8-2-6-12-16-13-7-5-11-15-9-3-1-4-10-15/h1,3-4,9-10,16-17H,2,5-8,11-14H2
InChIKeyVXKCDENPUNVSKI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds10

About 5-(4-phenylbutylamino)pentan-1-ol

5-(4-phenylbutylamino)pentan-1-ol (PubChem CID 107317257) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(4-phenylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-phenylbutylamino)pentan-1-ol
PubChem CID107317257
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(4-phenylbutylamino)pentan-1-ol
SMILESOCCCCCNCCCCc1ccccc1
InChIInChI=1S/C15H25NO/c17-14-8-2-6-12-16-13-7-5-11-15-9-3-1-4-10-15/h1,3-4,9-10,16-17H,2,5-8,11-14H2
InChIKeyVXKCDENPUNVSKI-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-phenylbutylamino)pentan-1-ol 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-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
2-(3-phenylpropylamino)ethanol
CID 19012091
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
methanesulfonic acid;4-phenylbutan-1-ol
CID 71375764
5-phenyl-N-propylpentan-1-amine
CID 62530615
3-(6-phenylhexylamino)propanoic acid
CID 19811158
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
3-bromopropylbenzene;6-phenylhexan-1-ol
CID 157464823
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylbutylamino)pentan-1-ol?
The IUPAC name of 5-(4-phenylbutylamino)pentan-1-ol (CID 107317257) is 5-(4-phenylbutylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-phenylbutylamino)pentan-1-ol?
The canonical SMILES for 5-(4-phenylbutylamino)pentan-1-ol is OCCCCCNCCCCc1ccccc1.
What is the InChIKey of 5-(4-phenylbutylamino)pentan-1-ol?
The InChIKey is VXKCDENPUNVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-14-8-2-6-12-16-13-7-5-11-15-9-3-1-4-10-15/h1,3-4,9-10,16-17H,2,5-8,11-14H2.
What are the key properties of 5-(4-phenylbutylamino)pentan-1-ol?
5-(4-phenylbutylamino)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylbutylamino)pentan-1-ol is sourced from PubChem (CID 107317257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).