4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine

C11H17BrN2 — CID 65343114

IUPAC4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCC(C)CN(C)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2/c1-8(2)7-14(3)11-6-9(12)4-5-10(11)13/h4-6,8H,7,13H2,1-3H3
InChIKeyMGMZKIOVAONUJN-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.12
Rot. Bonds3

About 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine

4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 65343114) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID65343114
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCC(C)CN(C)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2/c1-8(2)7-14(3)11-6-9(12)4-5-10(11)13/h4-6,8H,7,13H2,1-3H3
InChIKeyMGMZKIOVAONUJN-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
CID 65341463
4-bromo-N'-hydroxy-2-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114903890
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849633
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
4-bromo-2-N-ethyl-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477416
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
3-(2-amino-5-bromo-N-methylanilino)butanenitrile
CID 65342249
5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 79712299
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine
CID 130991719

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine (CID 65343114) is 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine is CC(C)CN(C)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is MGMZKIOVAONUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8(2)7-14(3)11-6-9(12)4-5-10(11)13/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 65343114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).