5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C15H23NO3 — CID 107667287

IUPAC5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(OC)cc(CC)cc2C1NOC
InChIInChI=1S/C15H23NO3/c1-5-7-12-14(16-18-4)11-8-10(6-2)9-13(17-3)15(11)19-12/h8-9,12,14,16H,5-7H2,1-4H3
InChIKeyIRFJNJUFECEUAK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.01
Rot. Bonds6

About 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107667287) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107667287
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(OC)cc(CC)cc2C1NOC
InChIInChI=1S/C15H23NO3/c1-5-7-12-14(16-18-4)11-8-10(6-2)9-13(17-3)15(11)19-12/h8-9,12,14,16H,5-7H2,1-4H3
InChIKeyIRFJNJUFECEUAK-UHFFFAOYSA-N
XLogP3.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049513
5-ethyl-7-methoxy-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667280
5-bromo-7-chloro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049820
N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667278
N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049127
6-ethyl-N,8-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667337
7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049829
5-ethyl-7-methoxy-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667317
2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659849
7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 114042734
5-tert-butyl-2-ethyl-N-methoxy-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482356
7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480123

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 107667287) is 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(OC)cc(CC)cc2C1NOC.
What is the InChIKey of 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is IRFJNJUFECEUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-7-12-14(16-18-4)11-8-10(6-2)9-13(17-3)15(11)19-12/h8-9,12,14,16H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 265.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107667287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).