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

C16H23Cl2NO — CID 68674977

IUPAC1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESCOC1CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-6-13(20-3)7-9-16)12-4-5-14(17)15(18)10-12/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyFNPNFDUAOLYGJY-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.38
Rot. Bonds4

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

1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine (PubChem CID 68674977) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine
PubChem CID68674977
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESCOC1CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-6-13(20-3)7-9-16)12-4-5-14(17)15(18)10-12/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyFNPNFDUAOLYGJY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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)-1-methyl-4-(methylaminomethyl)cyclohexan-1-ol
CID 68673707
(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane
CID 24802848
(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 46855789
[1-(3-Chlorophenyl)-4-methoxycyclohexyl]methanamine
CID 71184607
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
CID 24730055
4-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]cyclohexan-1-ol
CID 45026961
1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
CID 58954835
1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N-methylmethanamine
CID 58954859
1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N-methylmethanamine
CID 58954877

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine (CID 68674977) is 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine is COC1CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is FNPNFDUAOLYGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-19(2)11-16(8-6-13(20-3)7-9-16)12-4-5-14(17)15(18)10-12/h4-5,10,13H,6-9,11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]-N,N-dimethylmethanamine?
1-[1-(3,4-dichlorophenyl)-4-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)-4-methoxycyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 68674977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).