1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol

C15H24BrNO2 — CID 63058872

IUPAC1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)CNCc1cccc(Br)c1OCC(C)(C)O
InChIInChI=1S/C15H24BrNO2/c1-11(2)8-17-9-12-6-5-7-13(16)14(12)19-10-15(3,4)18/h5-7,11,17-18H,8-10H2,1-4H3
InChIKeyKXYQLZNQVTVZAN-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.34
Rot. Bonds7

About 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol

1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol (PubChem CID 63058872) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
PubChem CID63058872
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)CNCc1cccc(Br)c1OCC(C)(C)O
InChIInChI=1S/C15H24BrNO2/c1-11(2)8-17-9-12-6-5-7-13(16)14(12)19-10-15(3,4)18/h5-7,11,17-18H,8-10H2,1-4H3
InChIKeyKXYQLZNQVTVZAN-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
N-[[3-bromo-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 64553120
N-[[3-bromo-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 81105537
N-[(3-bromo-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487238
N-[[3-bromo-2-(2-methylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473394
N-[[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 116615096
N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 55192516
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
N-[[3-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 82867089
N-[[3-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058696
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol (CID 63058872) is 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol is CC(C)CNCc1cccc(Br)c1OCC(C)(C)O.
What is the InChIKey of 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol?
The InChIKey is KXYQLZNQVTVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-11(2)8-17-9-12-6-5-7-13(16)14(12)19-10-15(3,4)18/h5-7,11,17-18H,8-10H2,1-4H3.
What are the key properties of 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol?
1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 63058872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).