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

C18H21NO2 — CID 43297193

IUPAC(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCOc1cc(C(N)c2ccc3c(c2)CC(C)O3)ccc1C
InChIInChI=1S/C18H21NO2/c1-11-4-5-14(10-17(11)20-3)18(19)13-6-7-16-15(9-13)8-12(2)21-16/h4-7,9-10,12,18H,8,19H2,1-3H3
InChIKeyJOJSFAQYMKKLPD-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.38
Rot. Bonds3

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

(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 43297193) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID43297193
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCOc1cc(C(N)c2ccc3c(c2)CC(C)O3)ccc1C
InChIInChI=1S/C18H21NO2/c1-11-4-5-14(10-17(11)20-3)18(19)13-6-7-16-15(9-13)8-12(2)21-16/h4-7,9-10,12,18H,8,19H2,1-3H3
InChIKeyJOJSFAQYMKKLPD-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
CID 43297145
(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65308282
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
CID 43186694
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 81289246
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine
CID 43384519
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61081834
5-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63443045
(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107960594
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 43297193) is (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is COc1cc(C(N)c2ccc3c(c2)CC(C)O3)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is JOJSFAQYMKKLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-4-5-14(10-17(11)20-3)18(19)13-6-7-16-15(9-13)8-12(2)21-16/h4-7,9-10,12,18H,8,19H2,1-3H3.
What are the key properties of (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 43297193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).