4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene

C7H10BrN3 — CID 67762935

IUPAC4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene
SMILESCc1cc(NNN)ccc1Br
InChIInChI=1S/C7H10BrN3/c1-5-4-6(10-11-9)2-3-7(5)8/h2-4,10-11H,9H2,1H3
InChIKeyAKVRDAOEOVXFLA-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.55
Rot. Bonds2

About 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene

4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene (PubChem CID 67762935) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene.

Molecular Properties

Compound Name4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene
PubChem CID67762935
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene
SMILESCc1cc(NNN)ccc1Br
InChIInChI=1S/C7H10BrN3/c1-5-4-6(10-11-9)2-3-7(5)8/h2-4,10-11H,9H2,1H3
InChIKeyAKVRDAOEOVXFLA-UHFFFAOYSA-N
XLogP1.55
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117
4-bromo-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115917079
4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline
CID 142845497
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
1-(4-bromo-3-methylphenyl)-3-tert-butylthiourea
CID 2797636
4-bromo-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 28574797
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
CID 43362754
2-(4-bromo-3-methylanilino)-2-methylpropanenitrile
CID 82131814

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene?
The IUPAC name of 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene (CID 67762935) is 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene.
What is the SMILES notation for 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene?
The canonical SMILES for 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene is Cc1cc(NNN)ccc1Br.
What is the InChIKey of 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene?
The InChIKey is AKVRDAOEOVXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-5-4-6(10-11-9)2-3-7(5)8/h2-4,10-11H,9H2,1H3.
What are the key properties of 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene?
4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene has a molecular weight of 216.08 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminohydrazinyl)-1-bromo-2-methylbenzene is sourced from PubChem (CID 67762935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).