N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C14H21NO2 — CID 107667278

IUPACN,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(CC)cc(OC)c2OC1C
InChIInChI=1S/C14H21NO2/c1-5-10-7-11-13(15-6-2)9(3)17-14(11)12(8-10)16-4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyVKQVFRYISDWVGH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds4

About N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107667278) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107667278
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(CC)cc(OC)c2OC1C
InChIInChI=1S/C14H21NO2/c1-5-10-7-11-13(15-6-2)9(3)17-14(11)12(8-10)16-4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyVKQVFRYISDWVGH-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-7-methoxy-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667280
5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667287
N,6-diethyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 107667267
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295
5-ethyl-7-methoxy-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667317
6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 79982964
N-ethyl-4,6-dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79726519
6-ethyl-N,8-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667337
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
N-ethyl-7,8-dimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82888975
2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162462128
(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 83907540

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 107667278) is N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2cc(CC)cc(OC)c2OC1C.
What is the InChIKey of N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VKQVFRYISDWVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-10-7-11-13(15-6-2)9(3)17-14(11)12(8-10)16-4/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107667278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).