2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine

C15H17FN2O — CID 112566360

IUPAC2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine
SMILESCCOc1cncc(C(F)(CN)c2ccccc2)c1
InChIInChI=1S/C15H17FN2O/c1-2-19-14-8-13(9-18-10-14)15(16,11-17)12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3
InChIKeyDIXKLUHPFFWJKV-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.65
Rot. Bonds5

About 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine

2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine (PubChem CID 112566360) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine
PubChem CID112566360
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine
SMILESCCOc1cncc(C(F)(CN)c2ccccc2)c1
InChIInChI=1S/C15H17FN2O/c1-2-19-14-8-13(9-18-10-14)15(16,11-17)12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3
InChIKeyDIXKLUHPFFWJKV-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine 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

2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
CID 112566125
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108
4-(5-ethoxy-3-pyridinyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392693
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
(3-ethoxyphenyl)methanetriamine
CID 142802456
ethane;ethoxybenzene;toluene;trifluoromethylbenzene
CID 178055102
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
CID 112566367
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
ethoxybenzene chloride
CID 21193593
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine (CID 112566360) is 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine is CCOc1cncc(C(F)(CN)c2ccccc2)c1.
What is the InChIKey of 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine?
The InChIKey is DIXKLUHPFFWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-19-14-8-13(9-18-10-14)15(16,11-17)12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3.
What are the key properties of 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine?
2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine has a molecular weight of 260.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 112566360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).