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

C18H21NO — CID 62326697

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C18H21NO/c1-12-6-4-5-7-15(12)17(19)13-8-9-16-14(10-13)11-18(2,3)20-16/h4-10,17H,11,19H2,1-3H3
InChIKeyRXDVBLFPKGFBEK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.76
Rot. Bonds2

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

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine (PubChem CID 62326697) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
PubChem CID62326697
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C18H21NO/c1-12-6-4-5-7-15(12)17(19)13-8-9-16-14(10-13)11-18(2,3)20-16/h4-10,17H,11,19H2,1-3H3
InChIKeyRXDVBLFPKGFBEK-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine (CID 62326697) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
The InChIKey is RXDVBLFPKGFBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-6-4-5-7-15(12)17(19)13-8-9-16-14(10-13)11-18(2,3)20-16/h4-10,17H,11,19H2,1-3H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 62326697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).