1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine

C18H21NO2 — CID 83044016

IUPAC1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc3c(c2)COC3)cc1C
InChIInChI=1S/C18H21NO2/c1-11-6-15(7-12(2)18(11)20-3)17(19)13-4-5-14-9-21-10-16(14)8-13/h4-8,17H,9-10,19H2,1-3H3
InChIKeyHNRZEIYREYWDBJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.39
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine

1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine (PubChem CID 83044016) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
PubChem CID83044016
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc3c(c2)COC3)cc1C
InChIInChI=1S/C18H21NO2/c1-11-6-15(7-12(2)18(11)20-3)17(19)13-4-5-14-9-21-10-16(14)8-13/h4-8,17H,9-10,19H2,1-3H3
InChIKeyHNRZEIYREYWDBJ-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
CID 83056835
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026056
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine (CID 83044016) is 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine is COc1c(C)cc(C(N)c2ccc3c(c2)COC3)cc1C.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The InChIKey is HNRZEIYREYWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-6-15(7-12(2)18(11)20-3)17(19)13-4-5-14-9-21-10-16(14)8-13/h4-8,17H,9-10,19H2,1-3H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 83044016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).