4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine

C10H15BrN2O — CID 65343271

IUPAC4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
SMILESCCOCCNc1cc(Br)ccc1N
InChIInChI=1S/C10H15BrN2O/c1-2-14-6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyYBBZNNWPVDPIPU-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.48
Rot. Bonds5

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

4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine (PubChem CID 65343271) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
PubChem CID65343271
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
SMILESCCOCCNc1cc(Br)ccc1N
InChIInChI=1S/C10H15BrN2O/c1-2-14-6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyYBBZNNWPVDPIPU-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(2-ethoxyethyl)-2-N-methylbenzene-1,2-diamine
CID 138465990
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
4-bromo-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine;ethane
CID 145256343
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 65342624
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine (CID 65343271) is 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine is CCOCCNc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine?
The InChIKey is YBBZNNWPVDPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-2-14-6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,2,5-6,12H2,1H3.
What are the key properties of 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine?
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine has a molecular weight of 259.15 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 65343271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).