2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

C14H19Cl2NO — CID 58954975

IUPAC2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1O
InChIInChI=1S/C14H19Cl2NO/c1-17-9-14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8,13,17-18H,2-4,7,9H2,1H3
InChIKeyGHCJADGGBOAAGR-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.39
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 58954975) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
PubChem CID58954975
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1O
InChIInChI=1S/C14H19Cl2NO/c1-17-9-14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8,13,17-18H,2-4,7,9H2,1H3
InChIKeyGHCJADGGBOAAGR-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (CID 58954975) is 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is CNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is GHCJADGGBOAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-17-9-14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8,13,17-18H,2-4,7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
2-(3,4-dichlorophenyl)-2-(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 2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 58954975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).