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

C15H21ClFNO — CID 68673763

IUPAC2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)c(F)c2)CCCCC1O
InChIInChI=1S/C15H21ClFNO/c1-18(2)10-15(8-4-3-5-14(15)19)11-6-7-12(16)13(17)9-11/h6-7,9,14,19H,3-5,8,10H2,1-2H3
InChIKeyAUWABKDHNWABJC-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.21
Rot. Bonds3

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

2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 68673763) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID68673763
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)c(F)c2)CCCCC1O
InChIInChI=1S/C15H21ClFNO/c1-18(2)10-15(8-4-3-5-14(15)19)11-6-7-12(16)13(17)9-11/h6-7,9,14,19H,3-5,8,10H2,1-2H3
InChIKeyAUWABKDHNWABJC-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 68673763) is 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1(c2ccc(Cl)c(F)c2)CCCCC1O.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is AUWABKDHNWABJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-18(2)10-15(8-4-3-5-14(15)19)11-6-7-12(16)13(17)9-11/h6-7,9,14,19H,3-5,8,10H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 285.79 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 68673763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).