2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine

C13H14FN3 — CID 79244666

IUPAC2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine
SMILESCN(Cc1cc(N)ccn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3/c1-17(13-4-2-10(14)3-5-13)9-12-8-11(15)6-7-16-12/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyDNGRJSYKWOEJKP-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.44
Rot. Bonds3

About 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine

2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine (PubChem CID 79244666) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine
PubChem CID79244666
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine
SMILESCN(Cc1cc(N)ccn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3/c1-17(13-4-2-10(14)3-5-13)9-12-8-11(15)6-7-16-12/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyDNGRJSYKWOEJKP-UHFFFAOYSA-N
XLogP2.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine?
The IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine (CID 79244666) is 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine is CN(Cc1cc(N)ccn1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine?
The InChIKey is DNGRJSYKWOEJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17(13-4-2-10(14)3-5-13)9-12-8-11(15)6-7-16-12/h2-8H,9H2,1H3,(H2,15,16).
What are the key properties of 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine?
2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine has a molecular weight of 231.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine is sourced from PubChem (CID 79244666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).