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

C15H20N2O2 — CID 112614814

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1c(C)noc1C
InChIInChI=1S/C15H20N2O2/c1-10-5-4-6-13(7-8-16)15(10)18-9-14-11(2)17-19-12(14)3/h4-6H,7-9,16H2,1-3H3
InChIKeyYZVPHJKJGFAQOP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.68
Rot. Bonds5

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

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 112614814) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
PubChem CID112614814
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1c(C)noc1C
InChIInChI=1S/C15H20N2O2/c1-10-5-4-6-13(7-8-16)15(10)18-9-14-11(2)17-19-12(14)3/h4-6H,7-9,16H2,1-3H3
InChIKeyYZVPHJKJGFAQOP-UHFFFAOYSA-N
XLogP2.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
(E)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957207
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-3-methylphenyl]ethanamine
CID 115957600
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614892
N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953616
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905184
2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 115957641
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde
CID 28825712

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine (CID 112614814) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine is Cc1cccc(CCN)c1OCc1c(C)noc1C.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is YZVPHJKJGFAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-5-4-6-13(7-8-16)15(10)18-9-14-11(2)17-19-12(14)3/h4-6H,7-9,16H2,1-3H3.
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 112614814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).