(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine

C8H12BrN3 — CID 131173127

IUPAC(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1c(N)cccc1Br
InChIInChI=1S/C8H12BrN3/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,10-12H2/t7-/m0/s1
InChIKeyHEFWGIXHIXFTSB-ZETCQYMHSA-N
MW230.11 g/mol
LogP0.99
Rot. Bonds2

About (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine

(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine (PubChem CID 131173127) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
PubChem CID131173127
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1c(N)cccc1Br
InChIInChI=1S/C8H12BrN3/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,10-12H2/t7-/m0/s1
InChIKeyHEFWGIXHIXFTSB-ZETCQYMHSA-N
XLogP0.99
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
CID 131086535
(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
CID 66516155
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
(1S)-1-(4-amino-3-bromophenyl)ethane-1,2-diamine
CID 130674111
1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
CID 55274919
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
CID 130505913
2-(2-amino-6-bromophenyl)-3-bromoaniline
CID 14024662
(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
CID 130632394
2-bromoaniline
CID 162048621

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine (CID 131173127) is (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine is NC[C@H](N)c1c(N)cccc1Br.
What is the InChIKey of (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine?
The InChIKey is HEFWGIXHIXFTSB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12BrN3/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,10-12H2/t7-/m0/s1.
What are the key properties of (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine?
(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine has a molecular weight of 230.11 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 131173127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).