1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine

C15H16F2N2 — CID 63988196

IUPAC1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)c1cccc(F)c1F
InChIInChI=1S/C15H16F2N2/c1-2-18-14(10-11-6-3-4-9-19-11)12-7-5-8-13(16)15(12)17/h3-9,14,18H,2,10H2,1H3
InChIKeyXABSVCZMXQDGHA-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.25
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine

1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine (PubChem CID 63988196) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
PubChem CID63988196
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)c1cccc(F)c1F
InChIInChI=1S/C15H16F2N2/c1-2-18-14(10-11-6-3-4-9-19-11)12-7-5-8-13(16)15(12)17/h3-9,14,18H,2,10H2,1H3
InChIKeyXABSVCZMXQDGHA-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742
N-ethyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105157998
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 81304832
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447218
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
[1-(2-fluoro-3-methylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315397
N-ethyl-2-pyridin-2-yl-1-quinolin-4-ylethanamine
CID 105158093
N-ethyl-1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanamine
CID 63968337
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 82808005
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine (CID 63988196) is 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine is CCNC(Cc1ccccn1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine?
The InChIKey is XABSVCZMXQDGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-2-18-14(10-11-6-3-4-9-19-11)12-7-5-8-13(16)15(12)17/h3-9,14,18H,2,10H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine?
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine has a molecular weight of 262.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 63988196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).