(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride

C8H11Br2ClN2 — CID 171213915

IUPAC(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C8H10Br2N2.ClH/c9-6-1-5(8(12)4-11)2-7(10)3-6;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1
InChIKeyJNZMZVYEWQAQNP-DDWIOCJRSA-N
MW330.45 g/mol
LogP2.59
Rot. Bonds2

About (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride

(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171213915) has the molecular formula C8H11Br2ClN2 and a molecular weight of 330.45 g/mol. Its IUPAC name is (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171213915
Molecular FormulaC8H11Br2ClN2
Molecular Weight330.45 g/mol
Exact Mass327.90
IUPAC Name(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C8H10Br2N2.ClH/c9-6-1-5(8(12)4-11)2-7(10)3-6;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1
InChIKeyJNZMZVYEWQAQNP-DDWIOCJRSA-N
XLogP2.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
3-bromo-5-[(1S)-1,2-diaminoethyl]benzoic acid
CID 131080638
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313945
(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
1-(3,5-dibromophenyl)but-3-en-1-amine
CID 103693293
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride (CID 171213915) is (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@@H](N)c1cc(Br)cc(Br)c1.
What is the InChIKey of (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is JNZMZVYEWQAQNP-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H10Br2N2.ClH/c9-6-1-5(8(12)4-11)2-7(10)3-6;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride?
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 330.45 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171213915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).