1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

C13H17NO2 — CID 61282290

IUPAC1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C13H17NO2/c1-8-11-7-10(15-4)5-6-12(11)16-13(8)9(2)14-3/h5-7,9,14H,1-4H3
InChIKeyTUMZXCOTCMPARC-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.03
Rot. Bonds3

About 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 61282290) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID61282290
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C13H17NO2/c1-8-11-7-10(15-4)5-6-12(11)16-13(8)9(2)14-3/h5-7,9,14H,1-4H3
InChIKeyTUMZXCOTCMPARC-UHFFFAOYSA-N
XLogP3.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
CID 133291938
6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine
CID 133291964
(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353548
(1R)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353550
2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine
CID 75504801
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide
CID 75477505
5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
CID 120631158
4-chloro-5-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 133291939
4-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001157
2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide
CID 133291943

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (CID 61282290) is 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is TUMZXCOTCMPARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-11-7-10(15-4)5-6-12(11)16-13(8)9(2)14-3/h5-7,9,14H,1-4H3.
What are the key properties of 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 219.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 61282290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).