5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine

C14H16BrN3 — CID 107638767

IUPAC5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cccc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3/c1-3-17-11-7-12(9-16-8-11)18-14-6-4-5-13(15)10(14)2/h4-9,17-18H,3H2,1-2H3
InChIKeyLQLDYBLYAJSEEB-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.33
Rot. Bonds4

About 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine

5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 107638767) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID107638767
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cccc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3/c1-3-17-11-7-12(9-16-8-11)18-14-6-4-5-13(15)10(14)2/h4-9,17-18H,3H2,1-2H3
InChIKeyLQLDYBLYAJSEEB-UHFFFAOYSA-N
XLogP4.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423741
5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104534804
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
CID 104533044
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
CID 107638611
N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 107630479
5-(2-bromophenoxy)-N-ethylpyridin-3-amine
CID 104536174

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine (CID 107638767) is 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2cccc(Br)c2C)c1.
What is the InChIKey of 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is LQLDYBLYAJSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-3-17-11-7-12(9-16-8-11)18-14-6-4-5-13(15)10(14)2/h4-9,17-18H,3H2,1-2H3.
What are the key properties of 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 107638767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).