N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine

C15H18BrN3 — CID 79718732

IUPACN-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
SMILESCCN(Cc1cccc(N)c1)c1ncc(Br)cc1C
InChIInChI=1S/C15H18BrN3/c1-3-19(10-12-5-4-6-14(17)8-12)15-11(2)7-13(16)9-18-15/h4-9H,3,10,17H2,1-2H3
InChIKeyIRRLVEWPXGXMAK-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.76
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine

N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine (PubChem CID 79718732) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
PubChem CID79718732
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
SMILESCCN(Cc1cccc(N)c1)c1ncc(Br)cc1C
InChIInChI=1S/C15H18BrN3/c1-3-19(10-12-5-4-6-14(17)8-12)15-11(2)7-13(16)9-18-15/h4-9H,3,10,17H2,1-2H3
InChIKeyIRRLVEWPXGXMAK-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.76
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

2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713137
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine
CID 112676261
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,5-diamine
CID 62476714
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
CID 114869643
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
3-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]propanethioamide
CID 79712666
3-N-[(5-bromo-3-pyridinyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 113454392
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354
N-[(3-aminophenyl)methyl]-5-bromo-N-propan-2-ylpyrimidin-2-amine
CID 55251181
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine (CID 79718732) is N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine is CCN(Cc1cccc(N)c1)c1ncc(Br)cc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
The InChIKey is IRRLVEWPXGXMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-19(10-12-5-4-6-14(17)8-12)15-11(2)7-13(16)9-18-15/h4-9H,3,10,17H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine is sourced from PubChem (CID 79718732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).