1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol

C22H26Cl2FNO — CID 23105735

IUPAC1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H26Cl2FNO/c1-26(2)14-18-12-16(11-15-3-6-19(23)7-4-15)9-10-22(18,27)17-5-8-21(25)20(24)13-17/h3-8,13,16,18,27H,9-12,14H2,1-2H3
InChIKeyPHLYBZKODJMLAH-UHFFFAOYSA-N
MW410.36 g/mol
LogP5.54
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol

1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 23105735) has the molecular formula C22H26Cl2FNO and a molecular weight of 410.36 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID23105735
Molecular FormulaC22H26Cl2FNO
Molecular Weight410.36 g/mol
Exact Mass409.14
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H26Cl2FNO/c1-26(2)14-18-12-16(11-15-3-6-19(23)7-4-15)9-10-22(18,27)17-5-8-21(25)20(24)13-17/h3-8,13,16,18,27H,9-12,14H2,1-2H3
InChIKeyPHLYBZKODJMLAH-UHFFFAOYSA-N
XLogP5.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol 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-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
CID 140978350
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105696
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105878
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 18980478
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105737
1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105745
1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine
CID 23105876
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
CID 23105707
cis-(1R,2R)-1-[3-chloro-4-(dimethylamino)phenyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 134354580
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 23105823
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105689
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 23105735) is 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is PHLYBZKODJMLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2FNO/c1-26(2)14-18-12-16(11-15-3-6-19(23)7-4-15)9-10-22(18,27)17-5-8-21(25)20(24)13-17/h3-8,13,16,18,27H,9-12,14H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 410.36 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).