1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol

C14H19ClFNO — CID 103041934

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClFNO/c1-17-11-4-6-14(18,7-5-11)9-10-2-3-13(16)12(15)8-10/h2-3,8,11,17-18H,4-7,9H2,1H3
InChIKeyFRAVIBNYDJMANY-UHFFFAOYSA-N
MW271.76 g/mol
LogP2.91
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol

1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol (PubChem CID 103041934) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol
PubChem CID103041934
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClFNO/c1-17-11-4-6-14(18,7-5-11)9-10-2-3-13(16)12(15)8-10/h2-3,8,11,17-18H,4-7,9H2,1H3
InChIKeyFRAVIBNYDJMANY-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)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

4-((3-Chlorophenyl)methyl)piperidin-4-ol
CID 62787599
1-(3-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103029547
1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029548
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
1-(5-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031496
1-(3-Chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
CID 103036012
1-(3-chloro-2-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103036013
1-(3-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036014
1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103036015
1-[(3-Chloro-4-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 103041935
1-[(3-Chloro-4-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 103041936
1-(3-Chloro-4-fluorophenyl)-3-(propylamino)propan-2-ol
CID 103041937

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol (CID 103041934) is 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol is CNC1CCC(O)(Cc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol?
The InChIKey is FRAVIBNYDJMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17-11-4-6-14(18,7-5-11)9-10-2-3-13(16)12(15)8-10/h2-3,8,11,17-18H,4-7,9H2,1H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol?
1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol has a molecular weight of 271.76 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 103041934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).