2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine

C18H27F2N — CID 107187957

IUPAC2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCCCC1(C)C
InChIInChI=1S/C18H27F2N/c1-4-21-17(15-7-5-6-10-18(15,2)3)12-13-11-14(19)8-9-16(13)20/h8-9,11,15,17,21H,4-7,10,12H2,1-3H3
InChIKeyXXNQHYRTFQTJSY-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.70
Rot. Bonds5

About 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine

2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine (PubChem CID 107187957) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
PubChem CID107187957
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCCCC1(C)C
InChIInChI=1S/C18H27F2N/c1-4-21-17(15-7-5-6-10-18(15,2)3)12-13-11-14(19)8-9-16(13)20/h8-9,11,15,17,21H,4-7,10,12H2,1-3H3
InChIKeyXXNQHYRTFQTJSY-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107190805
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine (CID 107187957) is 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1F)C1CCCCC1(C)C.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The InChIKey is XXNQHYRTFQTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-4-21-17(15-7-5-6-10-18(15,2)3)12-13-11-14(19)8-9-16(13)20/h8-9,11,15,17,21H,4-7,10,12H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine has a molecular weight of 295.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 107187957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).