(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride

C10H15BrCl2N2 — CID 171202987

IUPAC(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H14BrClN2.ClH/c11-8-6-7(3-4-9(8)12)10(14)2-1-5-13;/h3-4,6,10H,1-2,5,13-14H2;1H/t10-;/m1./s1
InChIKeyZVZSVNKQKRDUCS-HNCPQSOCSA-N
MW314.05 g/mol
LogP3.26
Rot. Bonds4

About (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride

(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride (PubChem CID 171202987) has the molecular formula C10H15BrCl2N2 and a molecular weight of 314.05 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
PubChem CID171202987
Molecular FormulaC10H15BrCl2N2
Molecular Weight314.05 g/mol
Exact Mass311.98
IUPAC Name(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H14BrClN2.ClH/c11-8-6-7(3-4-9(8)12)10(14)2-1-5-13;/h3-4,6,10H,1-2,5,13-14H2;1H/t10-;/m1./s1
InChIKeyZVZSVNKQKRDUCS-HNCPQSOCSA-N
XLogP3.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.05
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
1-(3-bromo-4-chlorophenyl)octan-1-amine
CID 115566673
1-(3-bromo-4-chlorophenyl)heptan-1-amine
CID 115566954
(1R)-1-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107
(1R)-1-(3-bromo-4-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171205902
2,6-dibromo-4-[(1S)-1,4-diaminobutyl]phenol;hydrochloride
CID 171219509

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride (CID 171202987) is (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@@H](N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride?
The InChIKey is ZVZSVNKQKRDUCS-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14BrClN2.ClH/c11-8-6-7(3-4-9(8)12)10(14)2-1-5-13;/h3-4,6,10H,1-2,5,13-14H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride?
(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride has a molecular weight of 314.05 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171202987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).