N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine

C14H15FN2 — CID 115591104

IUPACN-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
SMILESCc1ccc(CNc2cccc(F)n2)c(C)c1
InChIInChI=1S/C14H15FN2/c1-10-6-7-12(11(2)8-10)9-16-14-5-3-4-13(15)17-14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyNLZHQZYKRFDWKZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine

N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine (PubChem CID 115591104) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
PubChem CID115591104
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
SMILESCc1ccc(CNc2cccc(F)n2)c(C)c1
InChIInChI=1S/C14H15FN2/c1-10-6-7-12(11(2)8-10)9-16-14-5-3-4-13(15)17-14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyNLZHQZYKRFDWKZ-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115127074
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
CID 115658048
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124
N-[(2,4-difluoro-5-nitrophenyl)methyl]-6-fluoropyridin-2-amine
CID 116812899
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60579306
N-(6-fluoro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 113456880
N-[(2,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 79041859

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine (CID 115591104) is N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine is Cc1ccc(CNc2cccc(F)n2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is NLZHQZYKRFDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-10-6-7-12(11(2)8-10)9-16-14-5-3-4-13(15)17-14/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine?
N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine has a molecular weight of 230.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 115591104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).