2-[(2,4-dibromophenyl)methylamino]propan-1-ol

C10H13Br2NO — CID 107938737

IUPAC2-[(2,4-dibromophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-7(6-14)13-5-8-2-3-9(11)4-10(8)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyBNDCLXZPQCDKSB-UHFFFAOYSA-N
MW323.03 g/mol
LogP2.68
Rot. Bonds4

About 2-[(2,4-dibromophenyl)methylamino]propan-1-ol

2-[(2,4-dibromophenyl)methylamino]propan-1-ol (PubChem CID 107938737) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 2-[(2,4-dibromophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dibromophenyl)methylamino]propan-1-ol
PubChem CID107938737
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name2-[(2,4-dibromophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-7(6-14)13-5-8-2-3-9(11)4-10(8)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyBNDCLXZPQCDKSB-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 103816362
2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]propan-1-ol
CID 43499428
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
CID 103854651
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
(2S)-2-[(2-bromo-4-methylphenyl)methylamino]-3-methylbutan-1-ol
CID 115556816
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
2-[(2-bromo-4-methylphenyl)methylamino]propane-1,3-diol
CID 75525246
(2S)-2-[(4-bromo-2-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 114986509
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110005910
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2,4-dibromophenyl)methylamino]propan-1-ol (CID 107938737) is 2-[(2,4-dibromophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2,4-dibromophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2,4-dibromophenyl)methylamino]propan-1-ol is CC(CO)NCc1ccc(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromophenyl)methylamino]propan-1-ol?
The InChIKey is BNDCLXZPQCDKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-7(6-14)13-5-8-2-3-9(11)4-10(8)12/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 2-[(2,4-dibromophenyl)methylamino]propan-1-ol?
2-[(2,4-dibromophenyl)methylamino]propan-1-ol has a molecular weight of 323.03 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 107938737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).