4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol

C16H23Cl2NO — CID 68673861

IUPAC4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol
SMILESCCC1(O)CCC(CNC)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-3-16(20)8-6-15(7-9-16,11-19-2)12-4-5-13(17)14(18)10-12/h4-5,10,19-20H,3,6-9,11H2,1-2H3
InChIKeyDQKBPLZDDANEEL-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.17
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol

4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 68673861) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol
PubChem CID68673861
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol
SMILESCCC1(O)CCC(CNC)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-3-16(20)8-6-15(7-9-16,11-19-2)12-4-5-13(17)14(18)10-12/h4-5,10,19-20H,3,6-9,11H2,1-2H3
InChIKeyDQKBPLZDDANEEL-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-cyclohexanol(HCl)
CID 146431
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
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
2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 68653619
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
3-(Aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954826
[2-(3,4-Dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
CID 58954827

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol (CID 68673861) is 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol is CCC1(O)CCC(CNC)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is DQKBPLZDDANEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-3-16(20)8-6-15(7-9-16,11-19-2)12-4-5-13(17)14(18)10-12/h4-5,10,19-20H,3,6-9,11H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol?
4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-ethyl-4-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 68673861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).