3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine

C9H11F3N2 — CID 115008941

IUPAC3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESNCCCc1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-4-7(2-1-3-13)5-14-6-8/h4-6H,1-3,13H2
InChIKeyNPJBHZGDPRPTRV-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.99
Rot. Bonds3

About 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine

3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 115008941) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID115008941
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESNCCCc1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-4-7(2-1-3-13)5-14-6-8/h4-6H,1-3,13H2
InChIKeyNPJBHZGDPRPTRV-UHFFFAOYSA-N
XLogP1.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride
CID 118798658
(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 169025163
2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
CID 113469850
3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 160820671
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 71678762
5-(trifluoromethyl)pyridine-3-thiolate
CID 165348790
4-[4-(trifluoromethyl)isoquinolin-7-yl]butan-1-amine
CID 117424153
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
CID 123329918
CID 123329918
3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine
CID 159089953

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 115008941) is 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine is NCCCc1cncc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is NPJBHZGDPRPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)8-4-7(2-1-3-13)5-14-6-8/h4-6H,1-3,13H2.
What are the key properties of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 204.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 115008941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).