1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol

C9H11F3N2O2 — CID 63901251

IUPAC1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
SMILESCOc1ccc(NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O2/c1-16-8-3-2-6(4-14-8)13-5-7(15)9(10,11)12/h2-4,7,13,15H,5H2,1H3
InChIKeyNJTDPKUGGXJWKE-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.43
Rot. Bonds4

About 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol (PubChem CID 63901251) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
PubChem CID63901251
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
SMILESCOc1ccc(NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O2/c1-16-8-3-2-6(4-14-8)13-5-7(15)9(10,11)12/h2-4,7,13,15H,5H2,1H3
InChIKeyNJTDPKUGGXJWKE-UHFFFAOYSA-N
XLogP1.43
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(dimethylamino)-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
CID 60903400
6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 115513408
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
N-(2-bromoprop-2-enyl)-6-methoxypyridin-3-amine
CID 60873566
6-methoxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyridin-3-amine
CID 43093893
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647
2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid
CID 114987513
2-[(6-methoxy-3-pyridinyl)amino]-N-pentan-3-ylacetamide
CID 54957106
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol (CID 63901251) is 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol is COc1ccc(NCC(O)C(F)(F)F)cn1.
What is the InChIKey of 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol?
The InChIKey is NJTDPKUGGXJWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-16-8-3-2-6(4-14-8)13-5-7(15)9(10,11)12/h2-4,7,13,15H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol has a molecular weight of 236.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 63901251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).