(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol

C11H16BrNO — CID 95465505

IUPAC(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)[C@H](O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-7(2)10(13)11(14)8-5-3-4-6-9(8)12/h3-7,10-11,14H,13H2,1-2H3/t10-,11+/m0/s1
InChIKeyOMXIQOUMTLIIMY-WDEREUQCSA-N
MW258.16 g/mol
LogP2.47
Rot. Bonds3

About (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol

(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol (PubChem CID 95465505) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
PubChem CID95465505
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)[C@H](O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-7(2)10(13)11(14)8-5-3-4-6-9(8)12/h3-7,10-11,14H,13H2,1-2H3/t10-,11+/m0/s1
InChIKeyOMXIQOUMTLIIMY-WDEREUQCSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
2-[(2-bromophenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62398436
[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium
CID 102140054
(2-bromophenyl)methanediamine
CID 22286781
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
CID 141224766

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol (CID 95465505) is (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol is CC(C)[C@H](N)[C@H](O)c1ccccc1Br.
What is the InChIKey of (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol?
The InChIKey is OMXIQOUMTLIIMY-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7(2)10(13)11(14)8-5-3-4-6-9(8)12/h3-7,10-11,14H,13H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol?
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 95465505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).