(1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol

C13H20BrNO — CID 70683075

IUPAC(1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol
SMILESC[C@@H](NC(C)(C)C)[C@H](O)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m1/s1
InChIKeyUEDSKGJOZIIYOB-SKDRFNHKSA-N
MW286.21 g/mol
LogP3.26
Rot. Bonds3

About (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol

(1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol (PubChem CID 70683075) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol
PubChem CID70683075
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name(1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol
SMILESC[C@@H](NC(C)(C)C)[C@H](O)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m1/s1
InChIKeyUEDSKGJOZIIYOB-SKDRFNHKSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-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

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol?
The IUPAC name of (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol (CID 70683075) is (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol.
What is the SMILES notation for (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol?
The canonical SMILES for (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol is C[C@@H](NC(C)(C)C)[C@H](O)c1cccc(Br)c1.
What is the InChIKey of (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol?
The InChIKey is UEDSKGJOZIIYOB-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m1/s1.
What are the key properties of (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol?
(1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol has a molecular weight of 286.21 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3-bromophenyl)-2-(tert-butylamino)propan-1-ol is sourced from PubChem (CID 70683075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).