1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine

C15H18FN3 — CID 103590580

IUPAC1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1ccccn1)c1cc(C)c(F)cc1N
InChIInChI=1S/C15H18FN3/c1-3-19(10-12-6-4-5-7-18-12)15-8-11(2)13(16)9-14(15)17/h4-9H,3,10,17H2,1-2H3
InChIKeyGKHMLHDGGMLXEQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.14
Rot. Bonds4

About 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine

1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine (PubChem CID 103590580) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
PubChem CID103590580
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1ccccn1)c1cc(C)c(F)cc1N
InChIInChI=1S/C15H18FN3/c1-3-19(10-12-6-4-5-7-18-12)15-8-11(2)13(16)9-14(15)17/h4-9H,3,10,17H2,1-2H3
InChIKeyGKHMLHDGGMLXEQ-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81273408
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 81165802
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364459
N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133419197
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43318808
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine (CID 103590580) is 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine is CCN(Cc1ccccn1)c1cc(C)c(F)cc1N.
What is the InChIKey of 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is GKHMLHDGGMLXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-19(10-12-6-4-5-7-18-12)15-8-11(2)13(16)9-14(15)17/h4-9H,3,10,17H2,1-2H3.
What are the key properties of 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine?
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 259.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 103590580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).