1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine

C16H23Cl2N — CID 53322451

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine
SMILESCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyOBWKCACUZGJXHN-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.15
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine (PubChem CID 53322451) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine
PubChem CID53322451
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine
SMILESCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyOBWKCACUZGJXHN-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine (CID 53322451) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine is CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine?
The InChIKey is OBWKCACUZGJXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine is sourced from PubChem (CID 53322451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).