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

C13H21NO2 — CID 103789006

IUPAC(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
SMILESCCC(N[C@@H](C)CO)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-10(2)9-15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13?/m0/s1
InChIKeyWJCGUAQITOBFRO-NKUHCKNESA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

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

(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol (PubChem CID 103789006) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
PubChem CID103789006
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
SMILESCCC(N[C@@H](C)CO)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-10(2)9-15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13?/m0/s1
InChIKeyWJCGUAQITOBFRO-NKUHCKNESA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
(2R)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97112691
(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97113683
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol?
The IUPAC name of (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol (CID 103789006) is (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol is CCC(N[C@@H](C)CO)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol?
The InChIKey is WJCGUAQITOBFRO-NKUHCKNESA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(14-10(2)9-15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13?/m0/s1.
What are the key properties of (2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol?
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 6 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]propan-1-ol is sourced from PubChem (CID 103789006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).