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

C15H24BrNO — CID 55055281

IUPAC2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(C)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-9-15(2,12-18)11-17(3)10-13-7-5-6-8-14(13)16/h5-8,18H,4,9-12H2,1-3H3
InChIKeyVNECOHAUHDBAQM-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.68
Rot. Bonds7

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

2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol (PubChem CID 55055281) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol
PubChem CID55055281
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(C)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-9-15(2,12-18)11-17(3)10-13-7-5-6-8-14(13)16/h5-8,18H,4,9-12H2,1-3H3
InChIKeyVNECOHAUHDBAQM-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
methyl 3-[(2-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619948
1-(2-bromophenyl)-2-methylpentan-2-ol
CID 80557375
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774
N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 78964341
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
4-[(2-bromophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062969
2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
CID 84590802

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol (CID 55055281) is 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN(C)Cc1ccccc1Br.
What is the InChIKey of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol?
The InChIKey is VNECOHAUHDBAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-9-15(2,12-18)11-17(3)10-13-7-5-6-8-14(13)16/h5-8,18H,4,9-12H2,1-3H3.
What are the key properties of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol?
2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol has a molecular weight of 314.27 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 55055281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).