2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine

C9H13BrN2 — CID 126678425

IUPAC2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
SMILESCNc1cc(Br)c(NC)cc1C
InChIInChI=1S/C9H13BrN2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5,11-12H,1-3H3
InChIKeyDSYRPEHSDAJXCD-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.84
Rot. Bonds2

About 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine

2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine (PubChem CID 126678425) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
PubChem CID126678425
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
SMILESCNc1cc(Br)c(NC)cc1C
InChIInChI=1S/C9H13BrN2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5,11-12H,1-3H3
InChIKeyDSYRPEHSDAJXCD-UHFFFAOYSA-N
XLogP2.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,2,5-trimethylaniline
CID 82550905
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
2,5-dimethyl-4-(methylamino)benzoic acid
CID 153189772
5-chloro-N,2,4-trimethylaniline;ethane
CID 145268863
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
3-bromo-1-N,5-dimethylbenzene-1,2-diamine
CID 169191403
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
5-bromo-2-fluoro-4-(methylamino)benzonitrile
CID 157360752
N,2-dimethyl-4-phosphanylaniline
CID 155371449
N,2,4-trimethylaniline;hydrochloride
CID 18686602
2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
CID 167741746

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine?
The IUPAC name of 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine (CID 126678425) is 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine?
The canonical SMILES for 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine is CNc1cc(Br)c(NC)cc1C.
What is the InChIKey of 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine?
The InChIKey is DSYRPEHSDAJXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5,11-12H,1-3H3.
What are the key properties of 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine?
2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine has a molecular weight of 229.12 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 126678425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).