(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine

C12H15NO2 — CID 28924769

IUPAC(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
SMILESCOc1ccc2oc(C)c([C@H](C)N)c2c1
InChIInChI=1S/C12H15NO2/c1-7(13)12-8(2)15-11-5-4-9(14-3)6-10(11)12/h4-7H,13H2,1-3H3/t7-/m0/s1
InChIKeyQAYAKUAJCZVLEF-ZETCQYMHSA-N
MW205.26 g/mol
LogP2.77
Rot. Bonds2

About (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine

(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine (PubChem CID 28924769) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
PubChem CID28924769
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
SMILESCOc1ccc2oc(C)c([C@H](C)N)c2c1
InChIInChI=1S/C12H15NO2/c1-7(13)12-8(2)15-11-5-4-9(14-3)6-10(11)12/h4-7H,13H2,1-3H3/t7-/m0/s1
InChIKeyQAYAKUAJCZVLEF-ZETCQYMHSA-N
XLogP2.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
2-methoxy-7-methyldibenzofuran
CID 122387372
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
CID 95346522
6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one
CID 142239429
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
CID 3124075
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55792336
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine
CID 170865073
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine?
The IUPAC name of (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine (CID 28924769) is (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine is COc1ccc2oc(C)c([C@H](C)N)c2c1.
What is the InChIKey of (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine?
The InChIKey is QAYAKUAJCZVLEF-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7(13)12-8(2)15-11-5-4-9(14-3)6-10(11)12/h4-7H,13H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine?
(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine has a molecular weight of 205.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 28924769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).