2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine

C16H23F2N — CID 63862912

IUPAC2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
SMILESCCC1CCCCC1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-2-12-5-3-4-6-15(12)16(19)9-11-7-13(17)10-14(18)8-11/h7-8,10,12,15-16H,2-6,9,19H2,1H3
InChIKeyRVNVTRXDSUSNNC-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.05
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine

2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine (PubChem CID 63862912) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
PubChem CID63862912
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
SMILESCCC1CCCCC1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-2-12-5-3-4-6-15(12)16(19)9-11-7-13(17)10-14(18)8-11/h7-8,10,12,15-16H,2-6,9,19H2,1H3
InChIKeyRVNVTRXDSUSNNC-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 105406402
1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151200
[(3,5-difluorophenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105207871
2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 105406187
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455
(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
CID 63861115
1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861303
(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethanamine
CID 86587041
1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55252390
2-(2-ethylcyclohexyl)-3-(3-fluorophenyl)propanoic acid
CID 79418399
(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63861305

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine (CID 63862912) is 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine is CCC1CCCCC1C(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine?
The InChIKey is RVNVTRXDSUSNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-12-5-3-4-6-15(12)16(19)9-11-7-13(17)10-14(18)8-11/h7-8,10,12,15-16H,2-6,9,19H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine?
2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 63862912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).