4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol

C15H25NO2 — CID 113376060

IUPAC4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
SMILESCCC(NC(C)CC(C)O)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(16-11(2)10-12(3)17)13-6-8-14(18-4)9-7-13/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeyDFIKRRJMRMTKLV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds7

About 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol

4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol (PubChem CID 113376060) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
PubChem CID113376060
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
SMILESCCC(NC(C)CC(C)O)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(16-11(2)10-12(3)17)13-6-8-14(18-4)9-7-13/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeyDFIKRRJMRMTKLV-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
CID 103779714
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
CID 60722003
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol?
The IUPAC name of 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol (CID 113376060) is 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol?
The canonical SMILES for 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol is CCC(NC(C)CC(C)O)c1ccc(OC)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol?
The InChIKey is DFIKRRJMRMTKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(16-11(2)10-12(3)17)13-6-8-14(18-4)9-7-13/h6-9,11-12,15-17H,5,10H2,1-4H3.
What are the key properties of 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol?
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol is sourced from PubChem (CID 113376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).