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

C18H22ClNO2 — CID 112768282

IUPAC1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO2/c1-13-6-3-4-9-18(13)22-12-17(21)11-20-14(2)15-7-5-8-16(19)10-15/h3-10,14,17,20-21H,11-12H2,1-2H3
InChIKeyROGVGXGBBNXNSC-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.74
Rot. Bonds7

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

1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 112768282) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID112768282
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO2/c1-13-6-3-4-9-18(13)22-12-17(21)11-20-14(2)15-7-5-8-16(19)10-15/h3-10,14,17,20-21H,11-12H2,1-2H3
InChIKeyROGVGXGBBNXNSC-UHFFFAOYSA-N
XLogP3.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-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-(3,4-dimethylphenoxy)propan-2-ol
CID 138960435
1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol (CID 112768282) is 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is ROGVGXGBBNXNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-13-6-3-4-9-18(13)22-12-17(21)11-20-14(2)15-7-5-8-16(19)10-15/h3-10,14,17,20-21H,11-12H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 319.83 g/mol, XLogP of 3.74, 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-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 112768282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).