(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol

C12H18ClNO — CID 103906772

IUPAC(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
SMILESCCC(NC[C@@H](C)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-3-12(14-8-9(2)15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyDRGLJIKCEYAKFB-PKEIRNPWSA-N
MW227.74 g/mol
LogP2.76
Rot. Bonds5

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

(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol (PubChem CID 103906772) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
PubChem CID103906772
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
SMILESCCC(NC[C@@H](C)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-3-12(14-8-9(2)15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyDRGLJIKCEYAKFB-PKEIRNPWSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol
CID 115704208
1-[1-(3,4,5-trifluorophenyl)propylamino]propan-2-ol
CID 58528719
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
N-[1-(4-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43103361
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol?
The IUPAC name of (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol (CID 103906772) is (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol is CCC(NC[C@@H](C)O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol?
The InChIKey is DRGLJIKCEYAKFB-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-12(14-8-9(2)15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol?
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol has a molecular weight of 227.74 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol is sourced from PubChem (CID 103906772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).