2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

C14H20ClNO — CID 68674138

IUPAC2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)cc2)CCCCC1O
InChIInChI=1S/C14H20ClNO/c1-16-10-14(9-3-2-4-13(14)17)11-5-7-12(15)8-6-11/h5-8,13,16-17H,2-4,9-10H2,1H3
InChIKeyKTOBNAHVVQAFAO-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 68674138) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
PubChem CID68674138
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)cc2)CCCCC1O
InChIInChI=1S/C14H20ClNO/c1-16-10-14(9-3-2-4-13(14)17)11-5-7-12(15)8-6-11/h5-8,13,16-17H,2-4,9-10H2,1H3
InChIKeyKTOBNAHVVQAFAO-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (CID 68674138) is 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is CNCC1(c2ccc(Cl)cc2)CCCCC1O.
What is the InChIKey of 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is KTOBNAHVVQAFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-10-14(9-3-2-4-13(14)17)11-5-7-12(15)8-6-11/h5-8,13,16-17H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 68674138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).