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

C13H21NO2 — CID 43499339

IUPAC1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-9-10(2)15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyRDRTUTXELDIQAG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

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

1-[1-(4-methoxyphenyl)propylamino]propan-2-ol (PubChem CID 43499339) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
PubChem CID43499339
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-9-10(2)15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyRDRTUTXELDIQAG-UHFFFAOYSA-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

1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
CID 103779714
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981732
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol (CID 43499339) is 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol is CCC(NCC(C)O)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol?
The InChIKey is RDRTUTXELDIQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(14-9-10(2)15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol?
1-[1-(4-methoxyphenyl)propylamino]propan-2-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 1-[1-(4-methoxyphenyl)propylamino]propan-2-ol is sourced from PubChem (CID 43499339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).