1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine

C17H25Cl2N — CID 65398874

IUPAC1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-20-17(13-8-5-3-4-6-9-13)12-14-15(18)10-7-11-16(14)19/h7,10-11,13,17,20H,2-6,8-9,12H2,1H3
InChIKeyNKZPKKHXJIAVHU-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.48
Rot. Bonds5

About 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine

1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 65398874) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID65398874
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-20-17(13-8-5-3-4-6-9-13)12-14-15(18)10-7-11-16(14)19/h7,10-11,13,17,20H,2-6,8-9,12H2,1H3
InChIKeyNKZPKKHXJIAVHU-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

Analyze 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine 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

2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 65398874) is 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is NKZPKKHXJIAVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-2-20-17(13-8-5-3-4-6-9-13)12-14-15(18)10-7-11-16(14)19/h7,10-11,13,17,20H,2-6,8-9,12H2,1H3.
What are the key properties of 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine 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 1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 65398874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).