4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine

C12H17BrN2O — CID 65343179

IUPAC4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(c1cc(Br)ccc1N)C1CC1
InChIInChI=1S/C12H17BrN2O/c1-16-7-6-15(10-3-4-10)12-8-9(13)2-5-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3
InChIKeyZTUXYBFNQFOPKR-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.65
Rot. Bonds5

About 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine

4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 65343179) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
PubChem CID65343179
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(c1cc(Br)ccc1N)C1CC1
InChIInChI=1S/C12H17BrN2O/c1-16-7-6-15(10-3-4-10)12-8-9(13)2-5-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3
InChIKeyZTUXYBFNQFOPKR-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 115468738
4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
CID 65343619
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 82969825
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide
CID 114278288
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339
3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 82804244
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine (CID 65343179) is 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine is COCCN(c1cc(Br)ccc1N)C1CC1.
What is the InChIKey of 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is ZTUXYBFNQFOPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-16-7-6-15(10-3-4-10)12-8-9(13)2-5-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3.
What are the key properties of 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 285.19 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 65343179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).