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

C17H25Cl2NO — CID 68674309

IUPAC4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2NO/c1-4-17(21)9-7-16(8-10-17,12-20(2)3)13-5-6-14(18)15(19)11-13/h5-6,11,21H,4,7-10,12H2,1-3H3
InChIKeySJTJLLXHBQCTJD-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.51
Rot. Bonds4

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

4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol (PubChem CID 68674309) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol
PubChem CID68674309
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2NO/c1-4-17(21)9-7-16(8-10-17,12-20(2)3)13-5-6-14(18)15(19)11-13/h5-6,11,21H,4,7-10,12H2,1-3H3
InChIKeySJTJLLXHBQCTJD-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-cyclohexanol(HCl)
CID 146431
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl)-1-methylcyclohexanol
CID 58954867
4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
CID 58954945
4-(3,4-Dichlorophenyl)-1-methyl-4-(methylaminomethyl)cyclohexan-1-ol
CID 68673707
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
CID 24730055
4-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]cyclohexan-1-ol
CID 45026961
3-Aminomethyl-3-(3,4-dichloro-phenyl)-1-methyl-cyclohexanol
CID 58954803
1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
CID 58954835
4-(3,4-Dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
CID 58954896
3-(3,4-Dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
CID 58954919
2-(3,4-Dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68673465

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol (CID 68674309) is 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol is CCC1(O)CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol?
The InChIKey is SJTJLLXHBQCTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-4-17(21)9-7-16(8-10-17,12-20(2)3)13-5-6-14(18)15(19)11-13/h5-6,11,21H,4,7-10,12H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol?
4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylcyclohexan-1-ol has a molecular weight of 330.30 g/mol, XLogP of 4.51, 4 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-ethylcyclohexan-1-ol is sourced from PubChem (CID 68674309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).