5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol

C15H25NO2 — CID 113350455

IUPAC5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
SMILESCCC(NCCCCCO)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-3-15(16-11-5-4-6-12-17)13-7-9-14(18-2)10-8-13/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyQZLKNIGRJMYFCJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds9

About 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol

5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol (PubChem CID 113350455) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
PubChem CID113350455
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
SMILESCCC(NCCCCCO)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-3-15(16-11-5-4-6-12-17)13-7-9-14(18-2)10-8-13/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyQZLKNIGRJMYFCJ-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
CID 54602354
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol?
The IUPAC name of 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol (CID 113350455) is 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol?
The canonical SMILES for 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol is CCC(NCCCCCO)c1ccc(OC)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol?
The InChIKey is QZLKNIGRJMYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-15(16-11-5-4-6-12-17)13-7-9-14(18-2)10-8-13/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol?
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol is sourced from PubChem (CID 113350455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).