1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol

C15H24BrNO2 — CID 63061654

IUPAC1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C15H24BrNO2/c1-14(2,3)17-9-11-6-7-13(12(16)8-11)19-10-15(4,5)18/h6-8,17-18H,9-10H2,1-5H3
InChIKeyKIIHAGUBCCFNHI-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol

1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol (PubChem CID 63061654) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol
PubChem CID63061654
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C15H24BrNO2/c1-14(2,3)17-9-11-6-7-13(12(16)8-11)19-10-15(4,5)18/h6-8,17-18H,9-10H2,1-5H3
InChIKeyKIIHAGUBCCFNHI-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]ethanol
CID 63063539
N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55146050
2-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]acetonitrile
CID 55146051
3-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]propanamide
CID 63063890
N-[[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114524795
N-[[3-bromo-4-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64552489
1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol
CID 60878410
N-[[3-bromo-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63062502
N-[[3-bromo-4-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63190499
3-[2-bromo-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629204
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17057061

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol (CID 63061654) is 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol is CC(C)(O)COc1ccc(CNC(C)(C)C)cc1Br.
What is the InChIKey of 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol?
The InChIKey is KIIHAGUBCCFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-14(2,3)17-9-11-6-7-13(12(16)8-11)19-10-15(4,5)18/h6-8,17-18H,9-10H2,1-5H3.
What are the key properties of 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol?
1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 63061654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).