1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol

C19H24ClNO2 — CID 138960435

IUPAC1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC(C)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H24ClNO2/c1-13-7-8-19(9-14(13)2)23-12-18(22)11-21-15(3)16-5-4-6-17(20)10-16/h4-10,15,18,21-22H,11-12H2,1-3H3
InChIKeyKHMSOQDDHOVRTA-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.05
Rot. Bonds7

About 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol

1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol (PubChem CID 138960435) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
PubChem CID138960435
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC(C)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H24ClNO2/c1-13-7-8-19(9-14(13)2)23-12-18(22)11-21-15(3)16-5-4-6-17(20)10-16/h4-10,15,18,21-22H,11-12H2,1-3H3
InChIKeyKHMSOQDDHOVRTA-UHFFFAOYSA-N
XLogP4.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(3,4-dimethylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237830
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138960420
1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
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-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81370810
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol (CID 138960435) is 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNC(C)c2cccc(Cl)c2)cc1C.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol?
The InChIKey is KHMSOQDDHOVRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-13-7-8-19(9-14(13)2)23-12-18(22)11-21-15(3)16-5-4-6-17(20)10-16/h4-10,15,18,21-22H,11-12H2,1-3H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol?
1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol has a molecular weight of 333.86 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 138960435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).