1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine

C16H23Cl2NO — CID 69329221

IUPAC1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESCOC1CCCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-4-5-13(10-16)20-3)12-6-7-14(17)15(18)9-12/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyQMMCDRJPRMDPMT-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.38
Rot. Bonds4

About 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine

1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine (PubChem CID 69329221) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine
PubChem CID69329221
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESCOC1CCCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-4-5-13(10-16)20-3)12-6-7-14(17)15(18)9-12/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyQMMCDRJPRMDPMT-UHFFFAOYSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
CID 53318434
1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53321058
1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-cyclohexanol(HCl)
CID 146431
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 25025780
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl)-1-methylcyclohexanol
CID 58954867
4-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]cyclohexan-1-ol
CID 45026961
cis-(1S,3R)-1-(3,4-dichlorophenyl)-3-methoxycyclohexane-1-carbonitrile
CID 58954778
3-Aminomethyl-3-(3,4-dichloro-phenyl)-1-methyl-cyclohexanol
CID 58954803
trans-(1R,3R)-1-(3,4-dichlorophenyl)-3-methoxycyclohexane-1-carbonitrile
CID 58954804
3-(Aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954826

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine (CID 69329221) is 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine is COC1CCCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is QMMCDRJPRMDPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-4-5-13(10-16)20-3)12-6-7-14(17)15(18)9-12/h6-7,9,13H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine?
1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 316.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 69329221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).