1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine

C19H23NO — CID 107293388

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C19H23NO/c1-13-6-4-5-7-14(13)11-17(20)15-8-9-18-16(10-15)19(2,3)12-21-18/h4-10,17H,11-12,20H2,1-3H3
InChIKeyXBXOCFMWGYIGBA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.91
Rot. Bonds3

About 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 107293388) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
PubChem CID107293388
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C19H23NO/c1-13-6-4-5-7-14(13)11-17(20)15-8-9-18-16(10-15)19(2,3)12-21-18/h4-10,17H,11-12,20H2,1-3H3
InChIKeyXBXOCFMWGYIGBA-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
CID 107293570
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylphenyl)ethanamine
CID 43115557
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 107293519
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-[bromo-(3,5-difluorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294572

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine (CID 107293388) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1CC(N)c1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is XBXOCFMWGYIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-6-4-5-7-14(13)11-17(20)15-8-9-18-16(10-15)19(2,3)12-21-18/h4-10,17H,11-12,20H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 107293388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).