5-(3-phenylbutylamino)pentan-2-ol

C15H25NO — CID 107272084

IUPAC5-(3-phenylbutylamino)pentan-2-ol
SMILESCC(O)CCCNCCC(C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(15-8-4-3-5-9-15)10-12-16-11-6-7-14(2)17/h3-5,8-9,13-14,16-17H,6-7,10-12H2,1-2H3
InChIKeyHUJAGMHGRIUDKK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.93
Rot. Bonds8

About 5-(3-phenylbutylamino)pentan-2-ol

5-(3-phenylbutylamino)pentan-2-ol (PubChem CID 107272084) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(3-phenylbutylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(3-phenylbutylamino)pentan-2-ol
PubChem CID107272084
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(3-phenylbutylamino)pentan-2-ol
SMILESCC(O)CCCNCCC(C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(15-8-4-3-5-9-15)10-12-16-11-6-7-14(2)17/h3-5,8-9,13-14,16-17H,6-7,10-12H2,1-2H3
InChIKeyHUJAGMHGRIUDKK-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylbutyl)hexan-1-amine
CID 63420973
2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441
N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide
CID 77032282
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
CID 55154070
3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
CID 79352188
2-(4-hydroxypentylamino)-2-phenylacetic acid
CID 106136977
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
4-(ethylamino)-1-phenylbutan-1-ol
CID 23009158
2,14-diphenylpentadecan-8-ol
CID 71175182

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylbutylamino)pentan-2-ol?
The IUPAC name of 5-(3-phenylbutylamino)pentan-2-ol (CID 107272084) is 5-(3-phenylbutylamino)pentan-2-ol.
What is the SMILES notation for 5-(3-phenylbutylamino)pentan-2-ol?
The canonical SMILES for 5-(3-phenylbutylamino)pentan-2-ol is CC(O)CCCNCCC(C)c1ccccc1.
What is the InChIKey of 5-(3-phenylbutylamino)pentan-2-ol?
The InChIKey is HUJAGMHGRIUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(15-8-4-3-5-9-15)10-12-16-11-6-7-14(2)17/h3-5,8-9,13-14,16-17H,6-7,10-12H2,1-2H3.
What are the key properties of 5-(3-phenylbutylamino)pentan-2-ol?
5-(3-phenylbutylamino)pentan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylbutylamino)pentan-2-ol is sourced from PubChem (CID 107272084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).