2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride

C23H31Cl2NO2 — CID 146052076

IUPAC2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
SMILESCc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C23H30ClNO2.ClH/c1-17(2)23(26,20-8-4-18(3)5-9-20)22(16-25-12-14-27-15-13-25)19-6-10-21(24)11-7-19;/h4-11,17,22,26H,12-16H2,1-3H3;1H
InChIKeyKXVJQVOMFKCZKT-UHFFFAOYSA-N
MW424.41 g/mol
LogP5.03
Rot. Bonds6

About 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride

2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride (PubChem CID 146052076) has the molecular formula C23H31Cl2NO2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
PubChem CID146052076
Molecular FormulaC23H31Cl2NO2
Molecular Weight424.41 g/mol
Exact Mass423.17
IUPAC Name2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
SMILESCc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C23H30ClNO2.ClH/c1-17(2)23(26,20-8-4-18(3)5-9-20)22(16-25-12-14-27-15-13-25)19-6-10-21(24)11-7-19;/h4-11,17,22,26H,12-16H2,1-3H3;1H
InChIKeyKXVJQVOMFKCZKT-UHFFFAOYSA-N
XLogP5.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 23606585
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 29184632
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2S,3S)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952833
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride (CID 146052076) is 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride is Cc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The InChIKey is KXVJQVOMFKCZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO2.ClH/c1-17(2)23(26,20-8-4-18(3)5-9-20)22(16-25-12-14-27-15-13-25)19-6-10-21(24)11-7-19;/h4-11,17,22,26H,12-16H2,1-3H3;1H.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride has a molecular weight of 424.41 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride is sourced from PubChem (CID 146052076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).