5-(1-phenylpropylamino)pentan-1-ol

C14H23NO — CID 62305220

IUPAC5-(1-phenylpropylamino)pentan-1-ol
SMILESCCC(NCCCCCO)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-14(13-9-5-3-6-10-13)15-11-7-4-8-12-16/h3,5-6,9-10,14-16H,2,4,7-8,11-12H2,1H3
InChIKeyCEMCGSZZAPFGLU-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds8

About 5-(1-phenylpropylamino)pentan-1-ol

5-(1-phenylpropylamino)pentan-1-ol (PubChem CID 62305220) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-(1-phenylpropylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1-phenylpropylamino)pentan-1-ol
PubChem CID62305220
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-(1-phenylpropylamino)pentan-1-ol
SMILESCCC(NCCCCCO)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-14(13-9-5-3-6-10-13)15-11-7-4-8-12-16/h3,5-6,9-10,14-16H,2,4,7-8,11-12H2,1H3
InChIKeyCEMCGSZZAPFGLU-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.89
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

5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
5-(1-phenylpropylamino)pentanamide
CID 103529788
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropylamino)pentan-1-ol?
The IUPAC name of 5-(1-phenylpropylamino)pentan-1-ol (CID 62305220) is 5-(1-phenylpropylamino)pentan-1-ol.
What is the SMILES notation for 5-(1-phenylpropylamino)pentan-1-ol?
The canonical SMILES for 5-(1-phenylpropylamino)pentan-1-ol is CCC(NCCCCCO)c1ccccc1.
What is the InChIKey of 5-(1-phenylpropylamino)pentan-1-ol?
The InChIKey is CEMCGSZZAPFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-14(13-9-5-3-6-10-13)15-11-7-4-8-12-16/h3,5-6,9-10,14-16H,2,4,7-8,11-12H2,1H3.
What are the key properties of 5-(1-phenylpropylamino)pentan-1-ol?
5-(1-phenylpropylamino)pentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropylamino)pentan-1-ol is sourced from PubChem (CID 62305220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).