1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine

C11H15F3N2 — CID 115705515

IUPAC1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine
SMILESCC(C)NC(Cc1ccncc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-8(2)16-10(11(12,13)14)7-9-3-5-15-6-4-9/h3-6,8,10,16H,7H2,1-2H3
InChIKeyDOODTBTTXYANIK-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.55
Rot. Bonds4

About 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine

1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine (PubChem CID 115705515) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine
PubChem CID115705515
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine
SMILESCC(C)NC(Cc1ccncc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-8(2)16-10(11(12,13)14)7-9-3-5-15-6-4-9/h3-6,8,10,16H,7H2,1-2H3
InChIKeyDOODTBTTXYANIK-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine
CID 103312085
N-propan-2-yl-1-pyridin-4-ylhexan-2-amine
CID 79411774
1,1,1-trifluoro-3-methyl-4-pyridin-4-ylbutan-2-one
CID 132934559
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 115844350
(3-ethyl-3-phenyl-1-pyridin-4-ylpentan-2-yl)hydrazine
CID 105217752
3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062287
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine (CID 115705515) is 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine is CC(C)NC(Cc1ccncc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is DOODTBTTXYANIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-8(2)16-10(11(12,13)14)7-9-3-5-15-6-4-9/h3-6,8,10,16H,7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine?
1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine has a molecular weight of 232.25 g/mol, XLogP of 2.55, 4 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-propan-2-yl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 115705515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).