1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol

C17H26ClNO — CID 22221690

IUPAC1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol
SMILESCC1CCCC(CN(C)C)C1(O)Cc1ccccc1Cl
InChIInChI=1S/C17H26ClNO/c1-13-7-6-9-15(12-19(2)3)17(13,20)11-14-8-4-5-10-16(14)18/h4-5,8,10,13,15,20H,6-7,9,11-12H2,1-3H3
InChIKeyAILFHJBPOHNBPA-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.61
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol

1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol (PubChem CID 22221690) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol
PubChem CID22221690
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol
SMILESCC1CCCC(CN(C)C)C1(O)Cc1ccccc1Cl
InChIInChI=1S/C17H26ClNO/c1-13-7-6-9-15(12-19(2)3)17(13,20)11-14-8-4-5-10-16(14)18/h4-5,8,10,13,15,20H,6-7,9,11-12H2,1-3H3
InChIKeyAILFHJBPOHNBPA-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol (CID 22221690) is 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol is CC1CCCC(CN(C)C)C1(O)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol?
The InChIKey is AILFHJBPOHNBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-13-7-6-9-15(12-19(2)3)17(13,20)11-14-8-4-5-10-16(14)18/h4-5,8,10,13,15,20H,6-7,9,11-12H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol?
1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol has a molecular weight of 295.85 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-methylcyclohexan-1-ol is sourced from PubChem (CID 22221690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).