(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride

C10H16Br2ClN3 — CID 171199463

IUPAC(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C10H15Br2N3.ClH/c11-6-4-7(9(14)2-1-3-13)10(15)8(12)5-6;/h4-5,9H,1-3,13-15H2;1H/t9-;/m1./s1
InChIKeyHTTJOYMXWNPIBT-SBSPUUFOSA-N
MW373.52 g/mol
LogP2.95
Rot. Bonds4

About (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride

(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride (PubChem CID 171199463) has the molecular formula C10H16Br2ClN3 and a molecular weight of 373.52 g/mol. Its IUPAC name is (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride
PubChem CID171199463
Molecular FormulaC10H16Br2ClN3
Molecular Weight373.52 g/mol
Exact Mass370.94
IUPAC Name(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C10H15Br2N3.ClH/c11-6-4-7(9(14)2-1-3-13)10(15)8(12)5-6;/h4-5,9H,1-3,13-15H2;1H/t9-;/m1./s1
InChIKeyHTTJOYMXWNPIBT-SBSPUUFOSA-N
XLogP2.95
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine
CID 171199462
(1S)-1-(2-amino-3,5-dibromophenyl)pentane-1,5-diamine;hydrochloride
CID 171218992
2-[(1S)-1-aminopent-4-enyl]-4,6-dibromoaniline
CID 171219023
2-[(1S)-1-aminopropyl]-4,6-dibromoaniline
CID 130700951
2-[(1S)-1-amino-3,3-difluoropropyl]-4,6-dibromoaniline;hydrochloride
CID 171312845
(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride
CID 171260301
2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
ethyl (3S)-3-amino-3-(2-amino-3,5-dibromophenyl)propanoate;hydrochloride
CID 171219035
(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)butane-1,4-diamine
CID 171224532
(1S)-1-(2-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171223334
2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-dibromoaniline
CID 131035663
2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromoaniline;hydrochloride
CID 171219014

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride (CID 171199463) is (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@@H](N)c1cc(Br)cc(Br)c1N.
What is the InChIKey of (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride?
The InChIKey is HTTJOYMXWNPIBT-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H15Br2N3.ClH/c11-6-4-7(9(14)2-1-3-13)10(15)8(12)5-6;/h4-5,9H,1-3,13-15H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride?
(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride has a molecular weight of 373.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171199463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).