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

C11H15BrN2 — CID 65343619

IUPAC4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
SMILESCCN(c1cc(Br)ccc1N)C1CC1
InChIInChI=1S/C11H15BrN2/c1-2-14(9-4-5-9)11-7-8(12)3-6-10(11)13/h3,6-7,9H,2,4-5,13H2,1H3
InChIKeyKMPKHNYCHWMIBS-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.02
Rot. Bonds3

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

4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine (PubChem CID 65343619) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
PubChem CID65343619
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
SMILESCCN(c1cc(Br)ccc1N)C1CC1
InChIInChI=1S/C11H15BrN2/c1-2-14(9-4-5-9)11-7-8(12)3-6-10(11)13/h3,6-7,9H,2,4-5,13H2,1H3
InChIKeyKMPKHNYCHWMIBS-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.02
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

2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile
CID 113444114
2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 83001040
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 64747727
4-bromo-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 130512874
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
5-bromo-2-N-cyclopropyl-2-N-ethylpyridine-2,3-diamine
CID 61228482

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine (CID 65343619) is 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine is CCN(c1cc(Br)ccc1N)C1CC1.
What is the InChIKey of 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine?
The InChIKey is KMPKHNYCHWMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-2-14(9-4-5-9)11-7-8(12)3-6-10(11)13/h3,6-7,9H,2,4-5,13H2,1H3.
What are the key properties of 4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine?
4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine has a molecular weight of 255.16 g/mol, XLogP of 3.02, 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-cyclopropyl-2-N-ethylbenzene-1,2-diamine is sourced from PubChem (CID 65343619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).