1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine

C11H15F3N2 — CID 66468598

IUPAC1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-5-16-10(11(12,13)14)7-9-4-3-6-15-8-9/h3-4,6,8,10,16H,2,5,7H2,1H3
InChIKeyIYOGUDINLMHJBM-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.55
Rot. Bonds5

About 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine

1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 66468598) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
PubChem CID66468598
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-5-16-10(11(12,13)14)7-9-4-3-6-15-8-9/h3-4,6,8,10,16H,2,5,7H2,1H3
InChIKeyIYOGUDINLMHJBM-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine
CID 79190636
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine
CID 114284861
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine (CID 66468598) is 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine is CCCNC(Cc1cccnc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is IYOGUDINLMHJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-2-5-16-10(11(12,13)14)7-9-4-3-6-15-8-9/h3-4,6,8,10,16H,2,5,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine?
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 232.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 66468598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).