5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline

C13H17FN2 — CID 114462374

IUPAC5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
SMILESCC1=CCN(Cc2ccc(F)cc2N)CC1
InChIInChI=1S/C13H17FN2/c1-10-4-6-16(7-5-10)9-11-2-3-12(14)8-13(11)15/h2-4,8H,5-7,9,15H2,1H3
InChIKeyYTQMYQSPRJQXFU-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.56
Rot. Bonds2

About 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline

5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline (PubChem CID 114462374) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
PubChem CID114462374
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
SMILESCC1=CCN(Cc2ccc(F)cc2N)CC1
InChIInChI=1S/C13H17FN2/c1-10-4-6-16(7-5-10)9-11-2-3-12(14)8-13(11)15/h2-4,8H,5-7,9,15H2,1H3
InChIKeyYTQMYQSPRJQXFU-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462450
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
CID 64769584
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 82364120
5-fluoro-2-(1,4-thiazepan-4-ylmethyl)aniline
CID 64767814
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
1-[(2-amino-4-fluorophenyl)methyl]azepan-2-one
CID 64769011
1-[(2-amino-4-fluorophenyl)methyl]-5-methylazepan-2-one
CID 64770583
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-fluoroaniline
CID 79931916
2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 114346238
5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 64769987
1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 64768035
2-[(4,5-dimethylimidazol-1-yl)methyl]-5-fluoroaniline
CID 64768036

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline (CID 114462374) is 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline is CC1=CCN(Cc2ccc(F)cc2N)CC1.
What is the InChIKey of 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
The InChIKey is YTQMYQSPRJQXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-10-4-6-16(7-5-10)9-11-2-3-12(14)8-13(11)15/h2-4,8H,5-7,9,15H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline has a molecular weight of 220.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline is sourced from PubChem (CID 114462374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).