1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol

C18H22ClNO3 — CID 138960443

IUPAC1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO3/c1-13(14-6-5-7-15(19)10-14)20-11-16(21)12-23-18-9-4-3-8-17(18)22-2/h3-10,13,16,20-21H,11-12H2,1-2H3
InChIKeySHASCXKFNCDFGS-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.44
Rot. Bonds8

About 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol

1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 138960443) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID138960443
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO3/c1-13(14-6-5-7-15(19)10-14)20-11-16(21)12-23-18-9-4-3-8-17(18)22-2/h3-10,13,16,20-21H,11-12H2,1-2H3
InChIKeySHASCXKFNCDFGS-UHFFFAOYSA-N
XLogP3.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
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
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138960420
1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 138960435
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914
1-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81370810
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol (CID 138960443) is 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is SHASCXKFNCDFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-13(14-6-5-7-15(19)10-14)20-11-16(21)12-23-18-9-4-3-8-17(18)22-2/h3-10,13,16,20-21H,11-12H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol?
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 335.83 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 138960443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).