1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine

C17H25Cl2N — CID 65398954

IUPAC1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-20-17(13-7-5-3-4-6-8-13)11-14-9-10-15(18)12-16(14)19/h9-10,12-13,17,20H,2-8,11H2,1H3
InChIKeyUDBORCQDALOSLF-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.48
Rot. Bonds5

About 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine

1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine (PubChem CID 65398954) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
PubChem CID65398954
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-20-17(13-7-5-3-4-6-8-13)11-14-9-10-15(18)12-16(14)19/h9-10,12-13,17,20H,2-8,11H2,1H3
InChIKeyUDBORCQDALOSLF-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-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115840073
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine (CID 65398954) is 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1Cl)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The InChIKey is UDBORCQDALOSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-2-20-17(13-7-5-3-4-6-8-13)11-14-9-10-15(18)12-16(14)19/h9-10,12-13,17,20H,2-8,11H2,1H3.
What are the key properties of 1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
1-cycloheptyl-2-(2,4-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-(2,4-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 65398954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).