(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol

C9H12BrNO — CID 59069368

IUPAC(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3/t6-,9+/m1/s1
InChIKeyRTRKBXOMILNDHA-MUWHJKNJSA-N
MW230.11 g/mol
LogP1.83
Rot. Bonds2

About (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol

(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol (PubChem CID 59069368) has the molecular formula C9H12BrNO and a molecular weight of 230.11 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
PubChem CID59069368
Molecular FormulaC9H12BrNO
Molecular Weight230.11 g/mol
Exact Mass229.01
IUPAC Name(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3/t6-,9+/m1/s1
InChIKeyRTRKBXOMILNDHA-MUWHJKNJSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
CID 55270641
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol (CID 59069368) is (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol is C[C@@H](O)[C@H](N)c1ccc(Br)cc1.
What is the InChIKey of (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol?
The InChIKey is RTRKBXOMILNDHA-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3/t6-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol?
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol has a molecular weight of 230.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol is sourced from PubChem (CID 59069368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).