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

C17H25Cl2N — CID 82933922

IUPAC2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNCC(c1c(Cl)cccc1Cl)C1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-20-12-14(13-8-5-3-4-6-9-13)17-15(18)10-7-11-16(17)19/h7,10-11,13-14,20H,2-6,8-9,12H2,1H3
InChIKeyMWPQGHUAXYZNAC-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.66
Rot. Bonds5

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

2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 82933922) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID82933922
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNCC(c1c(Cl)cccc1Cl)C1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-20-12-14(13-8-5-3-4-6-9-13)17-15(18)10-7-11-16(17)19/h7,10-11,13-14,20H,2-6,8-9,12H2,1H3
InChIKeyMWPQGHUAXYZNAC-UHFFFAOYSA-N
XLogP5.66
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 ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 82937282
2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 82936894
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 115778747
2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol
CID 82089092
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
2-(2-chlorophenyl)-2-cyclohexyloxy-N-ethylethanamine
CID 62108606

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 82933922) is 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNCC(c1c(Cl)cccc1Cl)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is MWPQGHUAXYZNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-2-20-12-14(13-8-5-3-4-6-9-13)17-15(18)10-7-11-16(17)19/h7,10-11,13-14,20H,2-6,8-9,12H2,1H3.
What are the key properties of 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine?
2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 82933922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).