(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine

C8H10BrClN2 — CID 131086535

IUPAC(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1c(Cl)cccc1Br
InChIInChI=1S/C8H10BrClN2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,4,11-12H2/t7-/m1/s1
InChIKeyQHEOBXLSEJVAOK-SSDOTTSWSA-N
MW249.54 g/mol
LogP2.06
Rot. Bonds2

About (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine

(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine (PubChem CID 131086535) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
PubChem CID131086535
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1c(Cl)cccc1Br
InChIInChI=1S/C8H10BrClN2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,4,11-12H2/t7-/m1/s1
InChIKeyQHEOBXLSEJVAOK-SSDOTTSWSA-N
XLogP2.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
CID 130505913
(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
CID 131173127
3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
3-chloro-2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 130632959
(1R)-1-(2,3,6-trichlorophenyl)ethane-1,2-diamine
CID 130714145
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
(1S)-1-(3,6-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 130692629
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
CID 131421509

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine (CID 131086535) is (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine is NC[C@@H](N)c1c(Cl)cccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine?
The InChIKey is QHEOBXLSEJVAOK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10BrClN2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,4,11-12H2/t7-/m1/s1.
What are the key properties of (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine?
(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine has a molecular weight of 249.54 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 131086535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).