5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine

C13H11F3N2 — CID 103824113

IUPAC5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C13H11F3N2/c1-8-2-10(7-17-5-8)18-6-9-3-11(14)13(16)12(15)4-9/h2-5,7,18H,6H2,1H3
InChIKeyJICYNTDPZPDMID-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.42
Rot. Bonds3

About 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine

5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine (PubChem CID 103824113) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
PubChem CID103824113
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C13H11F3N2/c1-8-2-10(7-17-5-8)18-6-9-3-11(14)13(16)12(15)4-9/h2-5,7,18H,6H2,1H3
InChIKeyJICYNTDPZPDMID-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine
CID 104535355
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 113278299
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
3-chloro-5-fluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107365473
2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 103824040
5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine
CID 103823979
N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
CID 103845205
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine (CID 103824113) is 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine is Cc1cncc(NCc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
The InChIKey is JICYNTDPZPDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8-2-10(7-17-5-8)18-6-9-3-11(14)13(16)12(15)4-9/h2-5,7,18H,6H2,1H3.
What are the key properties of 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine has a molecular weight of 252.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 103824113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).