3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine

C14H16FN3 — CID 114035183

IUPAC3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine
SMILESCCN(c1ccccc1)c1ncc(F)cc1CN
InChIInChI=1S/C14H16FN3/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h3-8,10H,2,9,16H2,1H3
InChIKeyANRLJYIJQBOBCB-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.84
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine

3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine (PubChem CID 114035183) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine
PubChem CID114035183
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine
SMILESCCN(c1ccccc1)c1ncc(F)cc1CN
InChIInChI=1S/C14H16FN3/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h3-8,10H,2,9,16H2,1H3
InChIKeyANRLJYIJQBOBCB-UHFFFAOYSA-N
XLogP2.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine (CID 114035183) is 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine is CCN(c1ccccc1)c1ncc(F)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine?
The InChIKey is ANRLJYIJQBOBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h3-8,10H,2,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine?
3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine has a molecular weight of 245.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine is sourced from PubChem (CID 114035183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).