1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine

C18H21NO2 — CID 115952258

IUPAC1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCC1COc2ccccc21
InChIInChI=1S/C18H21NO2/c1-13-6-5-7-14(10-19-2)18(13)21-12-15-11-20-17-9-4-3-8-16(15)17/h3-9,15,19H,10-12H2,1-2H3
InChIKeyUEHUCQMJXXNSSY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.27
Rot. Bonds5

About 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine

1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952258) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID115952258
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCC1COc2ccccc21
InChIInChI=1S/C18H21NO2/c1-13-6-5-7-14(10-19-2)18(13)21-12-15-11-20-17-9-4-3-8-16(15)17/h3-9,15,19H,10-12H2,1-2H3
InChIKeyUEHUCQMJXXNSSY-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 79218484
3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 79219231
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608444
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine (CID 115952258) is 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCC1COc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is UEHUCQMJXXNSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-6-5-7-14(10-19-2)18(13)21-12-15-11-20-17-9-4-3-8-16(15)17/h3-9,15,19H,10-12H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).