4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine

C12H20BrN3O — CID 65342624

IUPAC4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
SMILESCOCCN(C)CCNc1cc(Br)ccc1N
InChIInChI=1S/C12H20BrN3O/c1-16(7-8-17-2)6-5-15-12-9-10(13)3-4-11(12)14/h3-4,9,15H,5-8,14H2,1-2H3
InChIKeyRJGYGSYOQZCYGL-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.02
Rot. Bonds7

About 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine

4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine (PubChem CID 65342624) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
PubChem CID65342624
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
SMILESCOCCN(C)CCNc1cc(Br)ccc1N
InChIInChI=1S/C12H20BrN3O/c1-16(7-8-17-2)6-5-15-12-9-10(13)3-4-11(12)14/h3-4,9,15H,5-8,14H2,1-2H3
InChIKeyRJGYGSYOQZCYGL-UHFFFAOYSA-N
XLogP2.02
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
CID 63358675
N-(4-bromo-2-nitrophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55130087
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 79722870
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
2-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzamide
CID 62848528
4-bromo-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine;ethane
CID 145256343
3-chloro-1-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 104834477
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62843446

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine (CID 65342624) is 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine is COCCN(C)CCNc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine?
The InChIKey is RJGYGSYOQZCYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-16(7-8-17-2)6-5-15-12-9-10(13)3-4-11(12)14/h3-4,9,15H,5-8,14H2,1-2H3.
What are the key properties of 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine?
4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine has a molecular weight of 302.22 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine is sourced from PubChem (CID 65342624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).