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

C14H15BrN2O — CID 65343297

IUPAC4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
SMILESCCOc1ccccc1Nc1cc(Br)ccc1N
InChIInChI=1S/C14H15BrN2O/c1-2-18-14-6-4-3-5-12(14)17-13-9-10(15)7-8-11(13)16/h3-9,17H,2,16H2,1H3
InChIKeyOTQBFGOKEJUBTK-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.17
Rot. Bonds4

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

4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine (PubChem CID 65343297) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
PubChem CID65343297
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
SMILESCCOc1ccccc1Nc1cc(Br)ccc1N
InChIInChI=1S/C14H15BrN2O/c1-2-18-14-6-4-3-5-12(14)17-13-9-10(15)7-8-11(13)16/h3-9,17H,2,16H2,1H3
InChIKeyOTQBFGOKEJUBTK-UHFFFAOYSA-N
XLogP4.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-ethoxyanilino)benzenesulfonamide
CID 82900046
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66065259
2-N-(2,5-dibromophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63594469
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149321
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
CID 60781271
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
3-N-(4-bromophenyl)-5-ethoxybenzene-1,3-diamine
CID 80721814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine (CID 65343297) is 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine is CCOc1ccccc1Nc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine?
The InChIKey is OTQBFGOKEJUBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-18-14-6-4-3-5-12(14)17-13-9-10(15)7-8-11(13)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine?
4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine has a molecular weight of 307.19 g/mol, XLogP of 4.17, 4 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-ethoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 65343297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).