1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine

C16H23Cl2NO — CID 58954835

IUPAC1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESCOC1CCCCC1(CN(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(9-5-4-6-15(16)20-3)12-7-8-13(17)14(18)10-12/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyDDOQLDAOOODMRN-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.38
Rot. Bonds4

About 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine

1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine (PubChem CID 58954835) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
PubChem CID58954835
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESCOC1CCCCC1(CN(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-19(2)11-16(9-5-4-6-15(16)20-3)12-7-8-13(17)14(18)10-12/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyDDOQLDAOOODMRN-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine (CID 58954835) is 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine is COC1CCCCC1(CN(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is DDOQLDAOOODMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-19(2)11-16(9-5-4-6-15(16)20-3)12-7-8-13(17)14(18)10-12/h7-8,10,15H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
1-[1-(3,4-dichlorophenyl)-2-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)-2-methoxycyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58954835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).