1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine

C16H17F2N — CID 115803367

IUPAC1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2cccc(F)c2F)cc1
InChIInChI=1S/C16H17F2N/c1-2-11-6-8-12(9-7-11)10-15(19)13-4-3-5-14(17)16(13)18/h3-9,15H,2,10,19H2,1H3
InChIKeyXAWPVEIKERTCIX-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.77
Rot. Bonds4

About 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine

1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine (PubChem CID 115803367) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
PubChem CID115803367
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2cccc(F)c2F)cc1
InChIInChI=1S/C16H17F2N/c1-2-11-6-8-12(9-7-11)10-15(19)13-4-3-5-14(17)16(13)18/h3-9,15H,2,10,19H2,1H3
InChIKeyXAWPVEIKERTCIX-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803766
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
2-(3,4-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477102
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
CID 82807174
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine (CID 115803367) is 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine is CCc1ccc(CC(N)c2cccc(F)c2F)cc1.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
The InChIKey is XAWPVEIKERTCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-11-6-8-12(9-7-11)10-15(19)13-4-3-5-14(17)16(13)18/h3-9,15H,2,10,19H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 115803367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).