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

C15H19NO2 — CID 54863619

IUPAC1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO2/c1-11-7-8-15(18-11)10-16-12(2)13-5-4-6-14(9-13)17-3/h4-9,12,16H,10H2,1-3H3
InChIKeyPUKVEYDYVLENOK-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.45
Rot. Bonds5

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

1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 54863619) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID54863619
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO2/c1-11-7-8-15(18-11)10-16-12(2)13-5-4-6-14(9-13)17-3/h4-9,12,16H,10H2,1-3H3
InChIKeyPUKVEYDYVLENOK-UHFFFAOYSA-N
XLogP3.45
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 54863574
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 104609167
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 54863619) is 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is COc1cccc(C(C)NCc2ccc(C)o2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is PUKVEYDYVLENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-7-8-15(18-11)10-16-12(2)13-5-4-6-14(9-13)17-3/h4-9,12,16H,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 54863619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).