4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine

C10H13BrN2 — CID 65343671

IUPAC4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Br)ccc1N)C1CC1
InChIInChI=1S/C10H13BrN2/c1-13(8-3-4-8)10-6-7(11)2-5-9(10)12/h2,5-6,8H,3-4,12H2,1H3
InChIKeyDYDMBGUKBYKCSZ-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.63
Rot. Bonds2

About 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine

4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine (PubChem CID 65343671) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
PubChem CID65343671
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Br)ccc1N)C1CC1
InChIInChI=1S/C10H13BrN2/c1-13(8-3-4-8)10-6-7(11)2-5-9(10)12/h2,5-6,8H,3-4,12H2,1H3
InChIKeyDYDMBGUKBYKCSZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.63
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-methyl-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 65343311
4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
CID 65343619
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
4-bromo-2-[cyclopropyl(methyl)amino]benzonitrile
CID 114901416
4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 62376622
1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
CID 82966870
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine
CID 65342336
4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine
CID 130991719
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine (CID 65343671) is 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine is CN(c1cc(Br)ccc1N)C1CC1.
What is the InChIKey of 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine?
The InChIKey is DYDMBGUKBYKCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-13(8-3-4-8)10-6-7(11)2-5-9(10)12/h2,5-6,8H,3-4,12H2,1H3.
What are the key properties of 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine?
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine has a molecular weight of 241.13 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 65343671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).