1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine

C16H21NO3 — CID 62522809

IUPAC1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ccc(C)o2)c1OC
InChIInChI=1S/C16H21NO3/c1-4-19-15-7-5-6-13(16(15)18-3)10-17-11-14-9-8-12(2)20-14/h5-9,17H,4,10-11H2,1-3H3
InChIKeyDQBXPBWVJPGCRG-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.29
Rot. Bonds7

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

1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 62522809) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID62522809
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ccc(C)o2)c1OC
InChIInChI=1S/C16H21NO3/c1-4-19-15-7-5-6-13(16(15)18-3)10-17-11-14-9-8-12(2)20-14/h5-9,17H,4,10-11H2,1-3H3
InChIKeyDQBXPBWVJPGCRG-UHFFFAOYSA-N
XLogP3.29
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275113
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060
1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280616
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
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
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 62522809) is 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is CCOc1cccc(CNCc2ccc(C)o2)c1OC.
What is the InChIKey of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is DQBXPBWVJPGCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-19-15-7-5-6-13(16(15)18-3)10-17-11-14-9-8-12(2)20-14/h5-9,17H,4,10-11H2,1-3H3.
What are the key properties of 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 62522809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).