(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride

C9H10Br2ClN3 — CID 171260301

IUPAC(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C9H9Br2N3.ClH/c10-5-3-6(8(13)1-2-12)9(14)7(11)4-5;/h3-4,8H,1,13-14H2;1H/t8-;/m1./s1
InChIKeyWZKZCWVNSWHGNK-DDWIOCJRSA-N
MW355.46 g/mol
LogP3.13
Rot. Bonds2

About (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride

(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride (PubChem CID 171260301) has the molecular formula C9H10Br2ClN3 and a molecular weight of 355.46 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride
PubChem CID171260301
Molecular FormulaC9H10Br2ClN3
Molecular Weight355.46 g/mol
Exact Mass352.89
IUPAC Name(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C9H9Br2N3.ClH/c10-5-3-6(8(13)1-2-12)9(14)7(11)4-5;/h3-4,8H,1,13-14H2;1H/t8-;/m1./s1
InChIKeyWZKZCWVNSWHGNK-DDWIOCJRSA-N
XLogP3.13
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride 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

2-[(1S)-1-aminopropyl]-4,6-dibromoaniline
CID 130700951
2-[(1S)-1-amino-3,3-difluoropropyl]-4,6-dibromoaniline;hydrochloride
CID 171312845
(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride
CID 171199463
(1S)-1-(2-amino-3,5-dibromophenyl)pentane-1,5-diamine;hydrochloride
CID 171218992
(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine
CID 171199462
(3S)-3-amino-3-(2-amino-4-bromophenyl)propanenitrile
CID 130634465
ethyl (3S)-3-amino-3-(2-amino-3,5-dibromophenyl)propanoate;hydrochloride
CID 171219035
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanenitrile;hydrochloride
CID 171259937
2-[(1S)-1-aminopent-4-enyl]-4,6-dibromoaniline
CID 171219023
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
(3R)-3-amino-3-(5-bromo-2-iodophenyl)propanenitrile
CID 131218502
2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-dibromoaniline
CID 131035663

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride (CID 171260301) is (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride is Cl.N#CC[C@@H](N)c1cc(Br)cc(Br)c1N.
What is the InChIKey of (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride?
The InChIKey is WZKZCWVNSWHGNK-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9Br2N3.ClH/c10-5-3-6(8(13)1-2-12)9(14)7(11)4-5;/h3-4,8H,1,13-14H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride?
(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride has a molecular weight of 355.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride is sourced from PubChem (CID 171260301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).