1-[(2-bromophenyl)methyl-methylamino]butan-2-ol

C12H18BrNO — CID 61416488

IUPAC1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
SMILESCCC(O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-11(15)9-14(2)8-10-6-4-5-7-12(10)13/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyVQUZVIDOEPABMY-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.65
Rot. Bonds5

About 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol

1-[(2-bromophenyl)methyl-methylamino]butan-2-ol (PubChem CID 61416488) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
PubChem CID61416488
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
SMILESCCC(O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-11(15)9-14(2)8-10-6-4-5-7-12(10)13/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyVQUZVIDOEPABMY-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
CID 61416373
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894
2-bromo-N-[(2-bromophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690713
[(2-bromophenyl)methyl-methylamino]methyl-trifluoroboranuide
CID 63701500

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol?
The IUPAC name of 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol (CID 61416488) is 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol is CCC(O)CN(C)Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol?
The InChIKey is VQUZVIDOEPABMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-11(15)9-14(2)8-10-6-4-5-7-12(10)13/h4-7,11,15H,3,8-9H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol?
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 61416488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).