2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine

C18H27ClFN — CID 107191654

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)C1CCCCC1(C)C
InChIInChI=1S/C18H27ClFN/c1-4-21-16(14-9-5-6-11-18(14,2)3)12-13-8-7-10-15(19)17(13)20/h7-8,10,14,16,21H,4-6,9,11-12H2,1-3H3
InChIKeyVHYPZTPRISQWMF-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.22
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine

2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine (PubChem CID 107191654) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
PubChem CID107191654
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)C1CCCCC1(C)C
InChIInChI=1S/C18H27ClFN/c1-4-21-16(14-9-5-6-11-18(14,2)3)12-13-8-7-10-15(19)17(13)20/h7-8,10,14,16,21H,4-6,9,11-12H2,1-3H3
InChIKeyVHYPZTPRISQWMF-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107190805
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107191661
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
[2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193665
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
CID 102857659

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine (CID 107191654) is 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1F)C1CCCCC1(C)C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The InChIKey is VHYPZTPRISQWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-4-21-16(14-9-5-6-11-18(14,2)3)12-13-8-7-10-15(19)17(13)20/h7-8,10,14,16,21H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine has a molecular weight of 311.87 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 107191654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).