6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

C17H19NO3 — CID 63096723

IUPAC6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc(C)cc1COc1ccc2c(c1)OCC2N
InChIInChI=1S/C17H19NO3/c1-11-3-6-16(19-2)12(7-11)9-20-13-4-5-14-15(18)10-21-17(14)8-13/h3-8,15H,9-10,18H2,1-2H3
InChIKeyVEKRJLJEXHPOPP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.97
Rot. Bonds4

About 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096723) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096723
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc(C)cc1COc1ccc2c(c1)OCC2N
InChIInChI=1S/C17H19NO3/c1-11-3-6-16(19-2)12(7-11)9-20-13-4-5-14-15(18)10-21-17(14)8-13/h3-8,15H,9-10,18H2,1-2H3
InChIKeyVEKRJLJEXHPOPP-UHFFFAOYSA-N
XLogP2.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US9493490, Example 5
CID 87056186
N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine
CID 73346358
2-(2-Methoxy-4-phenethyloxy-phenyl)-ethylamine
CID 11043879
2-(2,4-Dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162315023
2-(2,6-Dimethylphenoxy)-1-phenylethan-1-amine hydrochloride
CID 72157831
(1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
CID 72547242
(1S)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
CID 72547481
(1R)-N-benzyl-1-(7-methoxy-2,2-dimethyl-chromen-6-yl)-N-methyl-ethanamine
CID 72547482
N-benzyl-1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanamine
CID 73333329
1-(7-methoxy-2,2-dimethyl-chromen-6-yl)-N-phenethyl-ethanamine
CID 73333330
N-[1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethyl]-3-phenyl-propan-1-amine
CID 73333331
N-[1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethyl]-4-phenyl-butan-1-amine
CID 73333332

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 63096723) is 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is COc1ccc(C)cc1COc1ccc2c(c1)OCC2N.
What is the InChIKey of 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VEKRJLJEXHPOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-3-6-16(19-2)12(7-11)9-20-13-4-5-14-15(18)10-21-17(14)8-13/h3-8,15H,9-10,18H2,1-2H3.
What are the key properties of 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 285.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).