(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine

C9H11F3N2 — CID 130713891

IUPAC(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCc1cccnc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-6-3-2-4-14-8(6)7(13)5-9(10,11)12/h2-4,7H,5,13H2,1H3/t7-/m0/s1
InChIKeyYRGQCNBDVKFMAY-ZETCQYMHSA-N
MW204.20 g/mol
LogP2.34
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine (PubChem CID 130713891) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
PubChem CID130713891
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCc1cccnc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-6-3-2-4-14-8(6)7(13)5-9(10,11)12/h2-4,7H,5,13H2,1H3/t7-/m0/s1
InChIKeyYRGQCNBDVKFMAY-ZETCQYMHSA-N
XLogP2.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
CID 88739390
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293686
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
(1S)-2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293023
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144422
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine
CID 123631226
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine (CID 130713891) is (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine is Cc1cccnc1[C@@H](N)CC(F)(F)F.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine?
The InChIKey is YRGQCNBDVKFMAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-6-3-2-4-14-8(6)7(13)5-9(10,11)12/h2-4,7H,5,13H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine has a molecular weight of 204.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 130713891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).