3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine

C9H11F3N2O — CID 112693379

IUPAC3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
SMILESCOc1ccc(C(N)CC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-15-8-3-2-6(5-14-8)7(13)4-9(10,11)12/h2-3,5,7H,4,13H2,1H3
InChIKeyZAIHRIRTFBQNGF-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.04
Rot. Bonds3

About 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine

3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine (PubChem CID 112693379) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
PubChem CID112693379
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
SMILESCOc1ccc(C(N)CC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-15-8-3-2-6(5-14-8)7(13)4-9(10,11)12/h2-3,5,7H,4,13H2,1H3
InChIKeyZAIHRIRTFBQNGF-UHFFFAOYSA-N
XLogP2.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
CID 171313628
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
(1S)-1-(6-bromo-3-pyridinyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171222885
2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine
CID 134955917
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine (CID 112693379) is 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine is COc1ccc(C(N)CC(F)(F)F)cn1.
What is the InChIKey of 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine?
The InChIKey is ZAIHRIRTFBQNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-15-8-3-2-6(5-14-8)7(13)4-9(10,11)12/h2-3,5,7H,4,13H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine?
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine has a molecular weight of 220.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 112693379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).