[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine

C16H19BrN2O — CID 107986143

IUPAC[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
SMILESCCOc1cccc(C(NN)c2cccc(C)c2Br)c1
InChIInChI=1S/C16H19BrN2O/c1-3-20-13-8-5-7-12(10-13)16(19-18)14-9-4-6-11(2)15(14)17/h4-10,16,19H,3,18H2,1-2H3
InChIKeySXMUBMPBLIGITQ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.71
Rot. Bonds5

About [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine

[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine (PubChem CID 107986143) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
PubChem CID107986143
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
SMILESCCOc1cccc(C(NN)c2cccc(C)c2Br)c1
InChIInChI=1S/C16H19BrN2O/c1-3-20-13-8-5-7-12(10-13)16(19-18)14-9-4-6-11(2)15(14)17/h4-10,16,19H,3,18H2,1-2H3
InChIKeySXMUBMPBLIGITQ-UHFFFAOYSA-N
XLogP3.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
[(2,4-dimethylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105191931
[(3-chloro-2-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 107103783
[(2-methylphenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105286114
[(2-bromo-5-methoxyphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328079
[(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203562
[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328002
[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 107986014
[(3-ethoxyphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105192042
[(3-ethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105327992
[(2,5-dimethylphenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105292611
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine (CID 107986143) is [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine is CCOc1cccc(C(NN)c2cccc(C)c2Br)c1.
What is the InChIKey of [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine?
The InChIKey is SXMUBMPBLIGITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-20-13-8-5-7-12(10-13)16(19-18)14-9-4-6-11(2)15(14)17/h4-10,16,19H,3,18H2,1-2H3.
What are the key properties of [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine?
[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 107986143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).