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

C20H27Cl2NO2 — CID 138960352

IUPAC1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCC(C)c1ccccc1OCC(O)CNC(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H26ClNO2.ClH/c1-14(2)19-6-4-5-7-20(19)24-13-18(23)12-22-15(3)16-8-10-17(21)11-9-16;/h4-11,14-15,18,22-23H,12-13H2,1-3H3;1H
InChIKeyOPDUPHKNEKYJCJ-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.98
Rot. Bonds8

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

1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride (PubChem CID 138960352) has the molecular formula C20H27Cl2NO2 and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
PubChem CID138960352
Molecular FormulaC20H27Cl2NO2
Molecular Weight384.35 g/mol
Exact Mass383.14
IUPAC Name1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCC(C)c1ccccc1OCC(O)CNC(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H26ClNO2.ClH/c1-14(2)19-6-4-5-7-20(19)24-13-18(23)12-22-15(3)16-8-10-17(21)11-9-16;/h4-11,14-15,18,22-23H,12-13H2,1-3H3;1H
InChIKeyOPDUPHKNEKYJCJ-UHFFFAOYSA-N
XLogP4.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone
CID 138960383
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
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-(4-chloro-2-methylphenoxy)-3-[1-(4-ethylphenyl)ethylamino]propan-2-ol;hydrochloride
CID 138958863
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride (CID 138960352) is 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride is CC(C)c1ccccc1OCC(O)CNC(C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is OPDUPHKNEKYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2.ClH/c1-14(2)19-6-4-5-7-20(19)24-13-18(23)12-22-15(3)16-8-10-17(21)11-9-16;/h4-11,14-15,18,22-23H,12-13H2,1-3H3;1H.
What are the key properties of 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 384.35 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138960352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).