3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol

C10H13F3N2O2 — CID 114093691

IUPAC3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOc1cccc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-2-17-9-5-3-4-8(15-9)14-6-7(16)10(11,12)13/h3-5,7,16H,2,6H2,1H3,(H,14,15)
InChIKeyCSGFJHCJRUMSTC-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.82
Rot. Bonds5

About 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114093691) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID114093691
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOc1cccc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-2-17-9-5-3-4-8(15-9)14-6-7(16)10(11,12)13/h3-5,7,16H,2,6H2,1H3,(H,14,15)
InChIKeyCSGFJHCJRUMSTC-UHFFFAOYSA-N
XLogP1.82
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol 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

1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 113228906
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
CID 114093682
2-[(6-ethoxy-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058536
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103702578
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol (CID 114093691) is 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol is CCOc1cccc(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CSGFJHCJRUMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-2-17-9-5-3-4-8(15-9)14-6-7(16)10(11,12)13/h3-5,7,16H,2,6H2,1H3,(H,14,15).
What are the key properties of 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 250.22 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114093691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).