(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol

C9H12BrClN2O — CID 130649240

IUPAC(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1cc(Br)c(Cl)cc1N
InChIInChI=1S/C9H12BrClN2O/c1-4(14)9(13)5-2-6(10)7(11)3-8(5)12/h2-4,9,14H,12-13H2,1H3/t4-,9+/m1/s1
InChIKeyABRALLAZIISZKH-MOFOKWOHSA-N
MW279.57 g/mol
LogP2.07
Rot. Bonds2

About (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol

(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol (PubChem CID 130649240) has the molecular formula C9H12BrClN2O and a molecular weight of 279.57 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
PubChem CID130649240
Molecular FormulaC9H12BrClN2O
Molecular Weight279.57 g/mol
Exact Mass277.98
IUPAC Name(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1cc(Br)c(Cl)cc1N
InChIInChI=1S/C9H12BrClN2O/c1-4(14)9(13)5-2-6(10)7(11)3-8(5)12/h2-4,9,14H,12-13H2,1H3/t4-,9+/m1/s1
InChIKeyABRALLAZIISZKH-MOFOKWOHSA-N
XLogP2.07
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.57
LogP ≤ 52.07
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

(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
CID 131033842
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1S)-1-amino-1-(4-amino-3-bromo-5-chlorophenyl)propan-2-ol
CID 130707255
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
(2S)-2-(2-amino-5-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 130700389
(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
CID 130713041
(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
CID 130665651
2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
CID 84812511
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol (CID 130649240) is (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol is C[C@@H](O)[C@H](N)c1cc(Br)c(Cl)cc1N.
What is the InChIKey of (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol?
The InChIKey is ABRALLAZIISZKH-MOFOKWOHSA-N. The full InChI is InChI=1S/C9H12BrClN2O/c1-4(14)9(13)5-2-6(10)7(11)3-8(5)12/h2-4,9,14H,12-13H2,1H3/t4-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol?
(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol has a molecular weight of 279.57 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol is sourced from PubChem (CID 130649240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).