4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline

C19H17FN2 — CID 43825795

IUPAC4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline
SMILESCc1cc(F)ccc1NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H17FN2/c1-14-13-16(20)10-11-17(14)22-19(15-7-3-2-4-8-15)18-9-5-6-12-21-18/h2-13,19,22H,1H3
InChIKeyFFODKCALPQFJBM-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.73
Rot. Bonds4

About 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline

4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline (PubChem CID 43825795) has the molecular formula C19H17FN2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline
PubChem CID43825795
Molecular FormulaC19H17FN2
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline
SMILESCc1cc(F)ccc1NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H17FN2/c1-14-13-16(20)10-11-17(14)22-19(15-7-3-2-4-8-15)18-9-5-6-12-21-18/h2-13,19,22H,1H3
InChIKeyFFODKCALPQFJBM-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[phenyl(pyridin-2-yl)methyl]pyridin-3-amine
CID 63329354
[(4-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195807
[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195754
N-benzhydryl-2,4-difluoroaniline
CID 82096621
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-fluoro-2-nitroaniline
CID 133364043
4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43764950
4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one
CID 56584790
3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine
CID 43547339
4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613284
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline (CID 43825795) is 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline is Cc1cc(F)ccc1NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline?
The InChIKey is FFODKCALPQFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2/c1-14-13-16(20)10-11-17(14)22-19(15-7-3-2-4-8-15)18-9-5-6-12-21-18/h2-13,19,22H,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline?
4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline has a molecular weight of 292.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline is sourced from PubChem (CID 43825795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).