2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline

C13H13FN2 — CID 115904322

IUPAC2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cccc(NCc2ccncc2)c1F
InChIInChI=1S/C13H13FN2/c1-10-3-2-4-12(13(10)14)16-9-11-5-7-15-8-6-11/h2-8,16H,9H2,1H3
InChIKeyHJGLUIVUYPEMRM-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.14
Rot. Bonds3

About 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline

2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 115904322) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID115904322
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cccc(NCc2ccncc2)c1F
InChIInChI=1S/C13H13FN2/c1-10-3-2-4-12(13(10)14)16-9-11-5-7-15-8-6-11/h2-8,16H,9H2,1H3
InChIKeyHJGLUIVUYPEMRM-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-(pyridin-4-ylmethyl)aniline
CID 28879747
N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
CID 114254482
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
N-benzyl-2,3-difluoroaniline
CID 21321341
methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate
CID 43714414

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline (CID 115904322) is 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline is Cc1cccc(NCc2ccncc2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is HJGLUIVUYPEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-10-3-2-4-12(13(10)14)16-9-11-5-7-15-8-6-11/h2-8,16H,9H2,1H3.
What are the key properties of 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline?
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 216.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 115904322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).