(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine

C14H17BrN2O2 — CID 102946793

IUPAC(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine
SMILESCc1noc(C)c1COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C14H17BrN2O2/c1-8(16)12-5-4-11(15)6-14(12)18-7-13-9(2)17-19-10(13)3/h4-6,8H,7,16H2,1-3H3/t8-/m1/s1
InChIKeyOJTPGLPIBXAALM-MRVPVSSYSA-N
MW325.21 g/mol
LogP3.65
Rot. Bonds4

About (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 102946793) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID102946793
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine
SMILESCc1noc(C)c1COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C14H17BrN2O2/c1-8(16)12-5-4-11(15)6-14(12)18-7-13-9(2)17-19-10(13)3/h4-6,8H,7,16H2,1-3H3/t8-/m1/s1
InChIKeyOJTPGLPIBXAALM-MRVPVSSYSA-N
XLogP3.65
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947520
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120
(1R)-1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 102946771
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757
(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102947252
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102946181
(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 102946834
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine (CID 102946793) is (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine is Cc1noc(C)c1COc1cc(Br)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is OJTPGLPIBXAALM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-8(16)12-5-4-11(15)6-14(12)18-7-13-9(2)17-19-10(13)3/h4-6,8H,7,16H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 325.21 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102946793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).