4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine

C11H17BrN2 — CID 130991719

IUPAC4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Br)ccc1N)C(C)(C)C
InChIInChI=1S/C11H17BrN2/c1-11(2,3)14(4)10-7-8(12)5-6-9(10)13/h5-7H,13H2,1-4H3
InChIKeyPQRAVJBDXPZANL-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.27
Rot. Bonds1

About 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine

4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine (PubChem CID 130991719) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine
PubChem CID130991719
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Br)ccc1N)C(C)(C)C
InChIInChI=1S/C11H17BrN2/c1-11(2,3)14(4)10-7-8(12)5-6-9(10)13/h5-7H,13H2,1-4H3
InChIKeyPQRAVJBDXPZANL-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine 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-amino-3-[tert-butyl(methyl)amino]benzonitrile
CID 115127229
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 65343114
4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
CID 65341463
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849633
4-bromo-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 130512874
4-bromo-2-tert-butylaniline;hydrobromide
CID 163332964
1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124740
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine (CID 130991719) is 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine is CN(c1cc(Br)ccc1N)C(C)(C)C.
What is the InChIKey of 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine?
The InChIKey is PQRAVJBDXPZANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-11(2,3)14(4)10-7-8(12)5-6-9(10)13/h5-7H,13H2,1-4H3.
What are the key properties of 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine?
4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine has a molecular weight of 257.18 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 130991719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).