2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine

C17H25Cl2N — CID 106827647

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C1(C)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-3-20-16(17(2)9-5-4-6-10-17)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyLLWITBQGKVNPRM-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.48
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine

2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106827647) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
PubChem CID106827647
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C1(C)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-3-20-16(17(2)9-5-4-6-10-17)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyLLWITBQGKVNPRM-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
[2-(3-chloro-4-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831414
2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 107312340
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
N-ethyl-2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106826923
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 105032675
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066196

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine (CID 106827647) is 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)C1(C)CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is LLWITBQGKVNPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-20-16(17(2)9-5-4-6-10-17)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106827647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).