1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone

C19H22ClNO3 — CID 138960383

IUPAC1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(15-7-9-16(20)10-8-15)21-11-17(23)12-24-19-6-4-3-5-18(19)14(2)22/h3-10,13,17,21,23H,11-12H2,1-2H3
InChIKeyIVSUJGAOWPKNPN-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.63
Rot. Bonds8

About 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone

1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 138960383) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone
PubChem CID138960383
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(15-7-9-16(20)10-8-15)21-11-17(23)12-24-19-6-4-3-5-18(19)14(2)22/h3-10,13,17,21,23H,11-12H2,1-2H3
InChIKeyIVSUJGAOWPKNPN-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138960352
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
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
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-(2-nitrophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 3409707
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone (CID 138960383) is 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1ccccc1OCC(O)CNC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is IVSUJGAOWPKNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(15-7-9-16(20)10-8-15)21-11-17(23)12-24-19-6-4-3-5-18(19)14(2)22/h3-10,13,17,21,23H,11-12H2,1-2H3.
What are the key properties of 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone?
1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 347.84 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 138960383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).