2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol

C10H13Br2NO2 — CID 75525106

IUPAC2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2NO2/c11-9-2-1-7(3-10(9)12)4-13-8(5-14)6-15/h1-3,8,13-15H,4-6H2
InChIKeyDNLAFWDSKDGOFW-UHFFFAOYSA-N
MW339.03 g/mol
LogP1.65
Rot. Bonds5

About 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol

2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol (PubChem CID 75525106) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
PubChem CID75525106
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2NO2/c11-9-2-1-7(3-10(9)12)4-13-8(5-14)6-15/h1-3,8,13-15H,4-6H2
InChIKeyDNLAFWDSKDGOFW-UHFFFAOYSA-N
XLogP1.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 105026288
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 103924355
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
CID 65315014
2-[(3-bromo-4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 61246252
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 81002992
[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
CID 107229828
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol (CID 75525106) is 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol is OCC(CO)NCc1ccc(Br)c(Br)c1.
What is the InChIKey of 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol?
The InChIKey is DNLAFWDSKDGOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c11-9-2-1-7(3-10(9)12)4-13-8(5-14)6-15/h1-3,8,13-15H,4-6H2.
What are the key properties of 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol?
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol has a molecular weight of 339.03 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol is sourced from PubChem (CID 75525106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).