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

C13H13FN2 — CID 792097

IUPAC4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cc(F)ccc1NCc1ccncc1
InChIInChI=1S/C13H13FN2/c1-10-8-12(14)2-3-13(10)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3
InChIKeyPHECXUCVSQSGCE-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.14
Rot. Bonds3

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

4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 792097) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID792097
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cc(F)ccc1NCc1ccncc1
InChIInChI=1S/C13H13FN2/c1-10-8-12(14)2-3-13(10)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3
InChIKeyPHECXUCVSQSGCE-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

4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 62761968
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322
N-[(3-bromo-4-chlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 83235362
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104726372
2,4-dimethyl-1-N-(pyridin-4-ylmethyl)benzene-1,3-diamine;trihydrochloride
CID 70397060
4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline
CID 167757454
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
N-[(3-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329306

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline (CID 792097) is 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline is Cc1cc(F)ccc1NCc1ccncc1.
What is the InChIKey of 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is PHECXUCVSQSGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-10-8-12(14)2-3-13(10)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline?
4-fluoro-2-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 4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 792097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).