1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine

C14H18N2O2 — CID 60713894

IUPAC1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1cc(C)no1
InChIInChI=1S/C14H18N2O2/c1-10-8-12(18-16-10)9-15-11(2)13-6-4-5-7-14(13)17-3/h4-8,11,15H,9H2,1-3H3
InChIKeyRXSBAEDGEFWTSU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine

1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine (PubChem CID 60713894) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
PubChem CID60713894
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1cc(C)no1
InChIInChI=1S/C14H18N2O2/c1-10-8-12(18-16-10)9-15-11(2)13-6-4-5-7-14(13)17-3/h4-8,11,15H,9H2,1-3H3
InChIKeyRXSBAEDGEFWTSU-UHFFFAOYSA-N
XLogP2.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60713955
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
5-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257716
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 97232655
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
1-(2-methoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651493

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine (CID 60713894) is 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine is COc1ccccc1C(C)NCc1cc(C)no1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The InChIKey is RXSBAEDGEFWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-8-12(18-16-10)9-15-11(2)13-6-4-5-7-14(13)17-3/h4-8,11,15H,9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60713894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).