2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO2 — CID 81482053

IUPAC2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(C)cc2C1NOC
InChIInChI=1S/C12H17NO2/c1-4-10-12(13-14-3)9-7-8(2)5-6-11(9)15-10/h5-7,10,12-13H,4H2,1-3H3
InChIKeyBBDOQRNMFJFQAK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds3

About 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine

2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81482053) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81482053
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(C)cc2C1NOC
InChIInChI=1S/C12H17NO2/c1-4-10-12(13-14-3)9-7-8(2)5-6-11(9)15-10/h5-7,10,12-13H,4H2,1-3H3
InChIKeyBBDOQRNMFJFQAK-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 81480528
2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81482112
7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480123
N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049127
5-tert-butyl-2-ethyl-N-methoxy-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482356
5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663227
2-ethyl-N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 64661216
N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482055
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662426
2-ethyl-5,6-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661620
5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667198

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 81482053) is 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2ccc(C)cc2C1NOC.
What is the InChIKey of 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BBDOQRNMFJFQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-10-12(13-14-3)9-7-8(2)5-6-11(9)15-10/h5-7,10,12-13H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 207.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81482053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).