1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine

C18H21NO — CID 62325434

IUPAC1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1
InChIInChI=1S/C18H21NO/c1-18(2)11-16-10-15(8-9-17(16)20-18)14-6-4-13(5-7-14)12-19-3/h4-10,19H,11-12H2,1-3H3
InChIKeyHCSLVXNDUFVWOT-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.79
Rot. Bonds3

About 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine

1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine (PubChem CID 62325434) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
PubChem CID62325434
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1
InChIInChI=1S/C18H21NO/c1-18(2)11-16-10-15(8-9-17(16)20-18)14-6-4-13(5-7-14)12-19-3/h4-10,19H,11-12H2,1-3H3
InChIKeyHCSLVXNDUFVWOT-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine (CID 62325434) is 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1.
What is the InChIKey of 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
The InChIKey is HCSLVXNDUFVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2)11-16-10-15(8-9-17(16)20-18)14-6-4-13(5-7-14)12-19-3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62325434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).