3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine

C14H13F3N2 — CID 165352272

IUPAC3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)8-13(18)11-4-1-3-10(7-11)12-5-2-6-19-9-12/h1-7,9,13H,8,18H2
InChIKeyHHVCXQKQKOYVFZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.70
Rot. Bonds3

About 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine

3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine (PubChem CID 165352272) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine
PubChem CID165352272
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)8-13(18)11-4-1-3-10(7-11)12-5-2-6-19-9-12/h1-7,9,13H,8,18H2
InChIKeyHHVCXQKQKOYVFZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
2-amino-2-(3-pyridin-3-ylphenyl)ethanol
CID 22144982
(2S)-2-amino-2-(3-pyridin-3-ylphenyl)ethanol
CID 66514489
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
CID 66511645
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine (CID 165352272) is 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine is NC(CC(F)(F)F)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine?
The InChIKey is HHVCXQKQKOYVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)8-13(18)11-4-1-3-10(7-11)12-5-2-6-19-9-12/h1-7,9,13H,8,18H2.
What are the key properties of 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine?
3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine has a molecular weight of 266.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine is sourced from PubChem (CID 165352272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).