[2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol

C16H23Cl2NO — CID 68676015

IUPAC[2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-4-3-5-13(16)10-20)12-6-7-14(17)15(18)9-12/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeySBZDQHXDTSOYDS-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.98
Rot. Bonds4

About [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol

[2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol (PubChem CID 68676015) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol
PubChem CID68676015
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name[2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-4-3-5-13(16)10-20)12-6-7-14(17)15(18)9-12/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeySBZDQHXDTSOYDS-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol (CID 68676015) is [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol is CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol?
The InChIKey is SBZDQHXDTSOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-4-3-5-13(16)10-20)12-6-7-14(17)15(18)9-12/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol?
[2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol has a molecular weight of 316.27 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 68676015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).