4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine

C12H17BrN2 — CID 43568860

IUPAC4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
SMILESCC(C1CC1)N(C)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2/c1-8(9-3-4-9)15(2)12-6-5-10(13)7-11(12)14/h5-9H,3-4,14H2,1-2H3
InChIKeyMULVJDUAICUIGA-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.27
Rot. Bonds3

About 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine

4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 43568860) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
PubChem CID43568860
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
SMILESCC(C1CC1)N(C)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2/c1-8(9-3-4-9)15(2)12-6-5-10(13)7-11(12)14/h5-9H,3-4,14H2,1-2H3
InChIKeyMULVJDUAICUIGA-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.27
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-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide
CID 43568852
4-bromo-2-N-(1-cyclopropylethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735526
[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
CID 43569351
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793
4-bromo-1-N-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 43570912
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
4-N-(1-cyclopropylethyl)-4-N-methyl-2,1,3-benzoxadiazole-4,7-diamine
CID 43568877
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline
CID 107080392
2-bromo-5-[[1-cyclopropylethyl(methyl)amino]methyl]aniline
CID 115557018
N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide
CID 114088427

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine (CID 43568860) is 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine is CC(C1CC1)N(C)c1ccc(Br)cc1N.
What is the InChIKey of 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is MULVJDUAICUIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8(9-3-4-9)15(2)12-6-5-10(13)7-11(12)14/h5-9H,3-4,14H2,1-2H3.
What are the key properties of 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 269.19 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 43568860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).