4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol

C14H19Cl2NO — CID 58954896

IUPAC4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)CC1
InChIInChI=1S/C14H19Cl2NO/c1-17-9-14(6-4-11(18)5-7-14)10-2-3-12(15)13(16)8-10/h2-3,8,11,17-18H,4-7,9H2,1H3
InChIKeyVLARVLVCNCELTO-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.39
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol

4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 58954896) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
PubChem CID58954896
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)CC1
InChIInChI=1S/C14H19Cl2NO/c1-17-9-14(6-4-11(18)5-7-14)10-2-3-12(15)13(16)8-10/h2-3,8,11,17-18H,4-7,9H2,1H3
InChIKeyVLARVLVCNCELTO-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-methyl-3-azabicyclo[3.1.0]hexane
CID 70691872
Rac-1-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-6-YL)methanol (structural mix)
CID 24802843
[(1S,5S,6R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 24825720
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 45379827
2-[(1R,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol
CID 45380185
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl)-1-methylcyclohexanol
CID 58954867
4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
CID 58954945
2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 68653619
4-(3,4-Dichlorophenyl)-1-methyl-4-(methylaminomethyl)cyclohexan-1-ol
CID 68673707
2-(3,4-Dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride
CID 71727754

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol (CID 58954896) is 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol is CNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is VLARVLVCNCELTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-17-9-14(6-4-11(18)5-7-14)10-2-3-12(15)13(16)8-10/h2-3,8,11,17-18H,4-7,9H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol?
4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 58954896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).