1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine

C17H20F2N2 — CID 79732696

IUPAC1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(Cc2cc(F)cc(F)c2)NC)nc1
InChIInChI=1S/C17H20F2N2/c1-3-12-4-5-16(21-11-12)10-17(20-2)8-13-6-14(18)9-15(19)7-13/h4-7,9,11,17,20H,3,8,10H2,1-2H3
InChIKeyVFHDUUMJJBJATI-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.30
Rot. Bonds6

About 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine

1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine (PubChem CID 79732696) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
PubChem CID79732696
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(Cc2cc(F)cc(F)c2)NC)nc1
InChIInChI=1S/C17H20F2N2/c1-3-12-4-5-16(21-11-12)10-17(20-2)8-13-6-14(18)9-15(19)7-13/h4-7,9,11,17,20H,3,8,10H2,1-2H3
InChIKeyVFHDUUMJJBJATI-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
CID 105014407
[1-(3,5-dimethylphenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105212613
1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79748150
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 104801496
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
[1-(4-bromophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105195480

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine (CID 79732696) is 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine is CCc1ccc(CC(Cc2cc(F)cc(F)c2)NC)nc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
The InChIKey is VFHDUUMJJBJATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-12-4-5-16(21-11-12)10-17(20-2)8-13-6-14(18)9-15(19)7-13/h4-7,9,11,17,20H,3,8,10H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine has a molecular weight of 290.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine is sourced from PubChem (CID 79732696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).