5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine

C13H13FN2 — CID 61313338

IUPAC5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CNc2ccc(F)cn2)c1
InChIInChI=1S/C13H13FN2/c1-10-3-2-4-11(7-10)8-15-13-6-5-12(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyYIVJVQRUNFLYGQ-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.14
Rot. Bonds3

About 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine

5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine (PubChem CID 61313338) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
PubChem CID61313338
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CNc2ccc(F)cn2)c1
InChIInChI=1S/C13H13FN2/c1-10-3-2-4-11(7-10)8-15-13-6-5-12(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyYIVJVQRUNFLYGQ-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

5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine (CID 61313338) is 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine is Cc1cccc(CNc2ccc(F)cn2)c1.
What is the InChIKey of 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is YIVJVQRUNFLYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-10-3-2-4-11(7-10)8-15-13-6-5-12(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine?
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine 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 5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 61313338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).