(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine

C8H10BrClN2 — CID 130673316

IUPAC(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H10BrClN2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyJMQOJURZEHNPKB-QMMMGPOBSA-N
MW249.54 g/mol
LogP2.06
Rot. Bonds2

About (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine

(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine (PubChem CID 130673316) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
PubChem CID130673316
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H10BrClN2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyJMQOJURZEHNPKB-QMMMGPOBSA-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-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
(1S)-1-(4-amino-3-chlorophenyl)ethane-1,2-diamine
CID 66516675
(1S)-1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 66516677
1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 77130858
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024152
(1S)-1-(4-amino-3-bromophenyl)ethane-1,2-diamine
CID 130674111
3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
CID 81308238
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)acetonitrile
CID 131057211

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine (CID 130673316) is (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine is NC[C@H](N)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is JMQOJURZEHNPKB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10BrClN2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1.
What are the key properties of (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine?
(1R)-1-(4-bromo-3-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 (1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 130673316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).