1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

C17H20F2N2 — CID 105105357

IUPAC1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1cc(F)ccc1F
InChIInChI=1S/C17H20F2N2/c1-2-21-16(7-5-13-4-3-9-20-12-13)11-14-10-15(18)6-8-17(14)19/h3-4,6,8-10,12,16,21H,2,5,7,11H2,1H3
InChIKeyQAFOMTIHKCIBQS-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.51
Rot. Bonds7

About 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105105357) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105105357
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1cc(F)ccc1F
InChIInChI=1S/C17H20F2N2/c1-2-21-16(7-5-13-4-3-9-20-12-13)11-14-10-15(18)6-8-17(14)19/h3-4,6,8-10,12,16,21H,2,5,7,11H2,1H3
InChIKeyQAFOMTIHKCIBQS-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(2-bromo-5-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105136731
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964
[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105296709
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105139608

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (CID 105105357) is 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine is CCNC(CCc1cccnc1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is QAFOMTIHKCIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-2-21-16(7-5-13-4-3-9-20-12-13)11-14-10-15(18)6-8-17(14)19/h3-4,6,8-10,12,16,21H,2,5,7,11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 290.36 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105105357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).