2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide

C11H16BrN3O2 — CID 116849075

IUPAC2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide
SMILESCOc1ccc(CC(N)C(=O)N(C)N)cc1Br
InChIInChI=1S/C11H16BrN3O2/c1-15(14)11(16)9(13)6-7-3-4-10(17-2)8(12)5-7/h3-5,9H,6,13-14H2,1-2H3
InChIKeyOSYVYBANLFECPF-UHFFFAOYSA-N
MW302.17 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide

2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide (PubChem CID 116849075) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide
PubChem CID116849075
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide
SMILESCOc1ccc(CC(N)C(=O)N(C)N)cc1Br
InChIInChI=1S/C11H16BrN3O2/c1-15(14)11(16)9(13)6-7-3-4-10(17-2)8(12)5-7/h3-5,9H,6,13-14H2,1-2H3
InChIKeyOSYVYBANLFECPF-UHFFFAOYSA-N
XLogP0.66
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(3-bromo-4-methoxyphenyl)-4-phenylbutan-2-one
CID 116552604
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-amino-3-(3,4-dimethoxyphenyl)propanamide
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1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
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2-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 102548362
4-amino-1-(3-bromo-4-methoxyphenyl)-3-methylpentan-2-one
CID 116612395
(3S)-3-amino-4-[3-bromo-4-(trihydroxymethoxy)phenyl]butan-2-one
CID 90194120
3-(3-bromo-4-methoxyphenyl)-2-(3-methylphenyl)propanoic acid
CID 79431801
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116849123

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide?
The IUPAC name of 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide (CID 116849075) is 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide?
The canonical SMILES for 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide is COc1ccc(CC(N)C(=O)N(C)N)cc1Br.
What is the InChIKey of 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide?
The InChIKey is OSYVYBANLFECPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-15(14)11(16)9(13)6-7-3-4-10(17-2)8(12)5-7/h3-5,9H,6,13-14H2,1-2H3.
What are the key properties of 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide?
2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide has a molecular weight of 302.17 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide is sourced from PubChem (CID 116849075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).