2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

C16H21Cl2F2N — CID 105122810

IUPAC2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C16H21Cl2F2N/c1-2-21-15(11-6-8-16(19,20)9-7-11)10-12-13(17)4-3-5-14(12)18/h3-5,11,15,21H,2,6-10H2,1H3
InChIKeyWASGYQKDVRTJQF-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.34
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (PubChem CID 105122810) has the molecular formula C16H21Cl2F2N and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
PubChem CID105122810
Molecular FormulaC16H21Cl2F2N
Molecular Weight336.25 g/mol
Exact Mass335.10
IUPAC Name2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C16H21Cl2F2N/c1-2-21-15(11-6-8-16(19,20)9-7-11)10-12-13(17)4-3-5-14(12)18/h3-5,11,15,21H,2,6-10H2,1H3
InChIKeyWASGYQKDVRTJQF-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105135106
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105099639
2-(4-bromo-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105137148
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
2-(3-chloro-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 102867266
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (CID 105122810) is 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The InChIKey is WASGYQKDVRTJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2F2N/c1-2-21-15(11-6-8-16(19,20)9-7-11)10-12-13(17)4-3-5-14(12)18/h3-5,11,15,21H,2,6-10H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine has a molecular weight of 336.25 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 105122810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).