2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol

C18H28ClNO — CID 64736474

IUPAC2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(CN(C)C(C)c2ccccc2Cl)C(O)C1
InChIInChI=1S/C18H28ClNO/c1-12-9-13(2)16(18(21)10-12)11-20(4)14(3)15-7-5-6-8-17(15)19/h5-8,12-14,16,18,21H,9-11H2,1-4H3
InChIKeyFDXPPOCKUMDSGV-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.38
Rot. Bonds4

About 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol

2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 64736474) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID64736474
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(CN(C)C(C)c2ccccc2Cl)C(O)C1
InChIInChI=1S/C18H28ClNO/c1-12-9-13(2)16(18(21)10-12)11-20(4)14(3)15-7-5-6-8-17(15)19/h5-8,12-14,16,18,21H,9-11H2,1-4H3
InChIKeyFDXPPOCKUMDSGV-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol
CID 65486914
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
4-[1-(2-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455427
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol (CID 64736474) is 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol is CC1CC(C)C(CN(C)C(C)c2ccccc2Cl)C(O)C1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is FDXPPOCKUMDSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-12-9-13(2)16(18(21)10-12)11-20(4)14(3)15-7-5-6-8-17(15)19/h5-8,12-14,16,18,21H,9-11H2,1-4H3.
What are the key properties of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol?
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 309.88 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64736474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).