2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol

C13H17Br2NO2 — CID 114077509

IUPAC2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1ccc(Br)c(Br)c1
InChIInChI=1S/C13H17Br2NO2/c14-11-4-3-9(6-12(11)15)13(8-17)16-7-10-2-1-5-18-10/h3-4,6,10,13,16-17H,1-2,5,7-8H2
InChIKeyMGMWCMWBDJNYLB-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.01
Rot. Bonds5

About 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol

2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 114077509) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID114077509
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1ccc(Br)c(Br)c1
InChIInChI=1S/C13H17Br2NO2/c14-11-4-3-9(6-12(11)15)13(8-17)16-7-10-2-1-5-18-10/h3-4,6,10,13,16-17H,1-2,5,7-8H2
InChIKeyMGMWCMWBDJNYLB-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114454315
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61347967
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54892069
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61048778
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol (CID 114077509) is 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol is OCC(NCC1CCCO1)c1ccc(Br)c(Br)c1.
What is the InChIKey of 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is MGMWCMWBDJNYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c14-11-4-3-9(6-12(11)15)13(8-17)16-7-10-2-1-5-18-10/h3-4,6,10,13,16-17H,1-2,5,7-8H2.
What are the key properties of 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 379.09 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 114077509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).