3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol

C13H20ClNO2 — CID 66169648

IUPAC3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol
SMILESCCC(NCC(C)(O)CO)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-12(15-8-13(2,17)9-16)10-4-6-11(14)7-5-10/h4-7,12,15-17H,3,8-9H2,1-2H3
InChIKeyGGYRILSRKBOPHB-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.12
Rot. Bonds6

About 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol

3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol (PubChem CID 66169648) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol
PubChem CID66169648
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol
SMILESCCC(NCC(C)(O)CO)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-12(15-8-13(2,17)9-16)10-4-6-11(14)7-5-10/h4-7,12,15-17H,3,8-9H2,1-2H3
InChIKeyGGYRILSRKBOPHB-UHFFFAOYSA-N
XLogP2.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
CID 63451971
2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
CID 81411321
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol
CID 113463351
5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol (CID 66169648) is 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol is CCC(NCC(C)(O)CO)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol?
The InChIKey is GGYRILSRKBOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-12(15-8-13(2,17)9-16)10-4-6-11(14)7-5-10/h4-7,12,15-17H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol?
3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol has a molecular weight of 257.76 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).