(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine

C16H21NO2 — CID 81397924

IUPAC(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCc1ccc(CN[C@H](C)c2ccccc2OC)o1
InChIInChI=1S/C16H21NO2/c1-4-13-9-10-14(19-13)11-17-12(2)15-7-5-6-8-16(15)18-3/h5-10,12,17H,4,11H2,1-3H3/t12-/m1/s1
InChIKeyKMLJCKKATSPNSL-GFCCVEGCSA-N
MW259.35 g/mol
LogP3.70
Rot. Bonds6

About (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine

(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81397924) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81397924
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCc1ccc(CN[C@H](C)c2ccccc2OC)o1
InChIInChI=1S/C16H21NO2/c1-4-13-9-10-14(19-13)11-17-12(2)15-7-5-6-8-16(15)18-3/h5-10,12,17H,4,11H2,1-3H3/t12-/m1/s1
InChIKeyKMLJCKKATSPNSL-GFCCVEGCSA-N
XLogP3.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine with MolForge

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Related Compounds

methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
5-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257716
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403007
N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 62346680
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316923

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 81397924) is (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine is CCc1ccc(CN[C@H](C)c2ccccc2OC)o1.
What is the InChIKey of (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is KMLJCKKATSPNSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-13-9-10-14(19-13)11-17-12(2)15-7-5-6-8-16(15)18-3/h5-10,12,17H,4,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81397924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).