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

C19H25Cl2NO2 — CID 138960420

IUPAC1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC(C)c2cccc(Cl)c2)c(C)c1.Cl
InChIInChI=1S/C19H24ClNO2.ClH/c1-13-7-8-19(14(2)9-13)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;1H
InChIKeyOTPJNTMNQXQUCP-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.47
Rot. Bonds7

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

1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride (PubChem CID 138960420) has the molecular formula C19H25Cl2NO2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
PubChem CID138960420
Molecular FormulaC19H25Cl2NO2
Molecular Weight370.32 g/mol
Exact Mass369.13
IUPAC Name1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC(C)c2cccc(Cl)c2)c(C)c1.Cl
InChIInChI=1S/C19H24ClNO2.ClH/c1-13-7-8-19(14(2)9-13)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;1H
InChIKeyOTPJNTMNQXQUCP-UHFFFAOYSA-N
XLogP4.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
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-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-(4-chloro-2-methylphenoxy)-3-[1-(4-ethylphenyl)ethylamino]propan-2-ol;hydrochloride
CID 138958863
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride (CID 138960420) is 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride is Cc1ccc(OCC(O)CNC(C)c2cccc(Cl)c2)c(C)c1.Cl.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is OTPJNTMNQXQUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2.ClH/c1-13-7-8-19(14(2)9-13)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;1H.
What are the key properties of 1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride?
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 370.32 g/mol, XLogP of 4.47, 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-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138960420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).