1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

C16H22N2O3 — CID 103275113

IUPAC1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ncc(CC)o2)c1OC
InChIInChI=1S/C16H22N2O3/c1-4-13-10-18-15(21-13)11-17-9-12-7-6-8-14(20-5-2)16(12)19-3/h6-8,10,17H,4-5,9,11H2,1-3H3
InChIKeyHGBMCMZARZIJNQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.93
Rot. Bonds8

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

1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275113) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275113
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ncc(CC)o2)c1OC
InChIInChI=1S/C16H22N2O3/c1-4-13-10-18-15(21-13)11-17-9-12-7-6-8-14(20-5-2)16(12)19-3/h6-8,10,17H,4-5,9,11H2,1-3H3
InChIKeyHGBMCMZARZIJNQ-UHFFFAOYSA-N
XLogP2.93
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280616
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 62522809
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096722
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine
CID 104889469
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
N-[(3-ethoxy-2-methoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592078
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43221626
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol
CID 106369147
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196174

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275113) is 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCOc1cccc(CNCc2ncc(CC)o2)c1OC.
What is the InChIKey of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is HGBMCMZARZIJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-13-10-18-15(21-13)11-17-9-12-7-6-8-14(20-5-2)16(12)19-3/h6-8,10,17H,4-5,9,11H2,1-3H3.
What are the key properties of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 290.36 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).