1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol

C16H23Cl2NO — CID 65117143

IUPAC1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-15(2)3-5-16(20,6-4-15)11-19-10-12-7-13(17)9-14(18)8-12/h7-9,19-20H,3-6,10-11H2,1-2H3
InChIKeyQHWYRTQHEWZKAJ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.41
Rot. Bonds4

About 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65117143) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65117143
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-15(2)3-5-16(20,6-4-15)11-19-10-12-7-13(17)9-14(18)8-12/h7-9,19-20H,3-6,10-11H2,1-2H3
InChIKeyQHWYRTQHEWZKAJ-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65117143) is 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(CNCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is QHWYRTQHEWZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-15(2)3-5-16(20,6-4-15)11-19-10-12-7-13(17)9-14(18)8-12/h7-9,19-20H,3-6,10-11H2,1-2H3.
What are the key properties of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65117143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).