1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine

C15H22BrNO2 — CID 116520805

IUPAC1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C15H22BrNO2/c1-10(17)13-8-11(16)4-5-14(13)18-9-12-6-7-15(2,3)19-12/h4-5,8,10,12H,6-7,9,17H2,1-3H3
InChIKeyQALOLPYMXYEEAN-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.81
Rot. Bonds4

About 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine

1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine (PubChem CID 116520805) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
PubChem CID116520805
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C15H22BrNO2/c1-10(17)13-8-11(16)4-5-14(13)18-9-12-6-7-15(2,3)19-12/h4-5,8,10,12H,6-7,9,17H2,1-3H3
InChIKeyQALOLPYMXYEEAN-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylethanamine
CID 116520806
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
1-[3-bromo-4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 116523117
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
N-[[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 116520729
1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine
CID 116523105
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 116520773
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine
CID 116520860
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzonitrile
CID 116521824
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine (CID 116520805) is 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine is CC(N)c1cc(Br)ccc1OCC1CCC(C)(C)O1.
What is the InChIKey of 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is QALOLPYMXYEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(17)13-8-11(16)4-5-14(13)18-9-12-6-7-15(2,3)19-12/h4-5,8,10,12H,6-7,9,17H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 116520805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).