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

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Related Compounds

Clobutinol
CID 26937
Clobutinol Hydrochloride
CID 92876
1-(1-(4-Chlorophenyl)-2-(dimethylamino)ethyl)cyclohexanol
CID 13520310
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
US11214540, Example 8
CID 142475437
Clemeprol
CID 71985
1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
CID 145974306
2-(4-Chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 68673525
1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
CID 58954835
2-(3,4-Dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 58954975
2-(3,4-Dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68673465
2-(3-Chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 68673871

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).