3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol

C13H20BrNO2 — CID 115122528

IUPAC3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
SMILESCC(C)(CNCC(O)CO)c1ccccc1Br
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-15-7-10(17)8-16)11-5-3-4-6-12(11)14/h3-6,10,15-17H,7-9H2,1-2H3
InChIKeyOYYWKNYFNVWNIT-UHFFFAOYSA-N
MW302.21 g/mol
LogP1.67
Rot. Bonds6

About 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol

3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol (PubChem CID 115122528) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
PubChem CID115122528
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
SMILESCC(C)(CNCC(O)CO)c1ccccc1Br
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-15-7-10(17)8-16)11-5-3-4-6-12(11)14/h3-6,10,15-17H,7-9H2,1-2H3
InChIKeyOYYWKNYFNVWNIT-UHFFFAOYSA-N
XLogP1.67
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726
2-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254745
3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
CID 115122517
1-N-[2-(2-bromophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222592
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257165
2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152840
3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol
CID 115122367
2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210084
1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
CID 115169643
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol (CID 115122528) is 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol is CC(C)(CNCC(O)CO)c1ccccc1Br.
What is the InChIKey of 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol?
The InChIKey is OYYWKNYFNVWNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-13(2,9-15-7-10(17)8-16)11-5-3-4-6-12(11)14/h3-6,10,15-17H,7-9H2,1-2H3.
What are the key properties of 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol?
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol has a molecular weight of 302.21 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol is sourced from PubChem (CID 115122528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).