4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

C16H23Cl2NO — CID 58954867

IUPAC4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC(C)(O)CC1
InChIInChI=1S/C16H23Cl2NO/c1-15(20)6-8-16(9-7-15,11-19(2)3)12-4-5-13(17)14(18)10-12/h4-5,10,20H,6-9,11H2,1-3H3
InChIKeyBLESHHZNRPCXQQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.12
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (PubChem CID 58954867) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
PubChem CID58954867
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC(C)(O)CC1
InChIInChI=1S/C16H23Cl2NO/c1-15(20)6-8-16(9-7-15,11-19(2)3)12-4-5-13(17)14(18)10-12/h4-5,10,20H,6-9,11H2,1-3H3
InChIKeyBLESHHZNRPCXQQ-UHFFFAOYSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (CID 58954867) is 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC(C)(O)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The InChIKey is BLESHHZNRPCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-15(20)6-8-16(9-7-15,11-19(2)3)12-4-5-13(17)14(18)10-12/h4-5,10,20H,6-9,11H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 58954867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).