(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine

C18H19NO2 — CID 63326884

IUPAC(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H19NO2/c1-11-4-6-15-13(8-11)10-17(21-15)18(19)14-9-12(2)5-7-16(14)20-3/h4-10,18H,19H2,1-3H3
InChIKeyILCPSZXKXLSDMM-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.11
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine

(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 63326884) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID63326884
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H19NO2/c1-11-4-6-15-13(8-11)10-17(21-15)18(19)14-9-12(2)5-7-16(14)20-3/h4-10,18H,19H2,1-3H3
InChIKeyILCPSZXKXLSDMM-UHFFFAOYSA-N
XLogP4.11
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105186639
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine
CID 67751602

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 63326884) is (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine is COc1ccc(C)cc1C(N)c1cc2cc(C)ccc2o1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is ILCPSZXKXLSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-4-6-15-13(8-11)10-17(21-15)18(19)14-9-12(2)5-7-16(14)20-3/h4-10,18H,19H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 63326884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).