1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol

C11H17BrN2O — CID 61416139

IUPAC1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccccc1Br)CC(O)CN
InChIInChI=1S/C11H17BrN2O/c1-14(8-10(15)6-13)7-9-4-2-3-5-11(9)12/h2-5,10,15H,6-8,13H2,1H3
InChIKeyLLMAVQPQBHENNK-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.20
Rot. Bonds5

About 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol

1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol (PubChem CID 61416139) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
PubChem CID61416139
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccccc1Br)CC(O)CN
InChIInChI=1S/C11H17BrN2O/c1-14(8-10(15)6-13)7-9-4-2-3-5-11(9)12/h2-5,10,15H,6-8,13H2,1H3
InChIKeyLLMAVQPQBHENNK-UHFFFAOYSA-N
XLogP1.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
CID 61416373
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
2-bromo-N-[(2-bromophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690713
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
methyl 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-methylbutanoate
CID 115253420
N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080827
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol (CID 61416139) is 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol is CN(Cc1ccccc1Br)CC(O)CN.
What is the InChIKey of 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is LLMAVQPQBHENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-14(8-10(15)6-13)7-9-4-2-3-5-11(9)12/h2-5,10,15H,6-8,13H2,1H3.
What are the key properties of 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol?
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 61416139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).