1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol

C23H29Cl2NO2 — CID 23105737

IUPAC1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1cccc(CC2CCC(O)(c3cc(Cl)cc(Cl)c3)C(CN(C)C)C2)c1
InChIInChI=1S/C23H29Cl2NO2/c1-26(2)15-19-10-17(9-16-5-4-6-22(11-16)28-3)7-8-23(19,27)18-12-20(24)14-21(25)13-18/h4-6,11-14,17,19,27H,7-10,15H2,1-3H3
InChIKeyJEWOIXJAYNDQDS-UHFFFAOYSA-N
MW422.40 g/mol
LogP5.41
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol

1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 23105737) has the molecular formula C23H29Cl2NO2 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID23105737
Molecular FormulaC23H29Cl2NO2
Molecular Weight422.40 g/mol
Exact Mass421.16
IUPAC Name1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1cccc(CC2CCC(O)(c3cc(Cl)cc(Cl)c3)C(CN(C)C)C2)c1
InChIInChI=1S/C23H29Cl2NO2/c1-26(2)15-19-10-17(9-16-5-4-6-22(11-16)28-3)7-8-23(19,27)18-12-20(24)14-21(25)13-18/h4-6,11-14,17,19,27H,7-10,15H2,1-3H3
InChIKeyJEWOIXJAYNDQDS-UHFFFAOYSA-N
XLogP5.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105696
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 18980478
1-benzyl-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105795
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-phenylmethoxycyclohexan-1-ol
CID 10272836
1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 23105735
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10270341
4-benzylsulfonyl-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 156703355
2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
CID 140978350
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol
CID 22642997
[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] cyclopentanecarboxylate
CID 69135557
ethyl 4,6-dichloro-3-[[[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]-methylamino]methyl]-1H-indole-2-carboxylate
CID 10289765

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol (CID 23105737) is 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol is COc1cccc(CC2CCC(O)(c3cc(Cl)cc(Cl)c3)C(CN(C)C)C2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is JEWOIXJAYNDQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2NO2/c1-26(2)15-19-10-17(9-16-5-4-6-22(11-16)28-3)7-8-23(19,27)18-12-20(24)14-21(25)13-18/h4-6,11-14,17,19,27H,7-10,15H2,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 422.40 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).