1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol

C17H20ClNO2 — CID 60632879

IUPAC1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-13(14-6-3-2-4-7-14)19-11-16(20)12-21-17-9-5-8-15(18)10-17/h2-10,13,16,19-20H,11-12H2,1H3
InChIKeyCNEHIJMYFLTYKW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.43
Rot. Bonds7

About 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol

1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol (PubChem CID 60632879) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
PubChem CID60632879
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-13(14-6-3-2-4-7-14)19-11-16(20)12-21-17-9-5-8-15(18)10-17/h2-10,13,16,19-20H,11-12H2,1H3
InChIKeyCNEHIJMYFLTYKW-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 138960435
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
1-(3,4-dimethylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237830
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64643980

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol (CID 60632879) is 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol is CC(NCC(O)COc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol?
The InChIKey is CNEHIJMYFLTYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13(14-6-3-2-4-7-14)19-11-16(20)12-21-17-9-5-8-15(18)10-17/h2-10,13,16,19-20H,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol?
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol is sourced from PubChem (CID 60632879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).