(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol

C15H25NO2 — CID 79254481

IUPAC(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
SMILESCCC(N[C@H](CO)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-14(16-15(10-17)11(2)3)12-6-8-13(18-4)9-7-12/h6-9,11,14-17H,5,10H2,1-4H3/t14?,15-/m1/s1
InChIKeyVSWSVVQFKKJOSU-YSSOQSIOSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds7

About (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol

(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol (PubChem CID 79254481) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
PubChem CID79254481
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
SMILESCCC(N[C@H](CO)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-14(16-15(10-17)11(2)3)12-6-8-13(18-4)9-7-12/h6-9,11,14-17H,5,10H2,1-4H3/t14?,15-/m1/s1
InChIKeyVSWSVVQFKKJOSU-YSSOQSIOSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
CID 60722003
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97113683
(2R)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97112691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol (CID 79254481) is (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol is CCC(N[C@H](CO)C(C)C)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol?
The InChIKey is VSWSVVQFKKJOSU-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-14(16-15(10-17)11(2)3)12-6-8-13(18-4)9-7-12/h6-9,11,14-17H,5,10H2,1-4H3/t14?,15-/m1/s1.
What are the key properties of (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol?
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).