N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline

C18H21NO2 — CID 63271150

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
SMILESCOc1ccccc1NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C18H21NO2/c1-18(2)11-14-10-13(8-9-16(14)21-18)12-19-15-6-4-5-7-17(15)20-3/h4-10,19H,11-12H2,1-3H3
InChIKeyQPLXJDPGDRWBAI-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline (PubChem CID 63271150) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
PubChem CID63271150
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
SMILESCOc1ccccc1NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C18H21NO2/c1-18(2)11-14-10-13(8-9-16(14)21-18)12-19-15-6-4-5-7-17(15)20-3/h4-10,19H,11-12H2,1-3H3
InChIKeyQPLXJDPGDRWBAI-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63270710
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
3-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylaniline
CID 60722706
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
CID 63271337
5-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63423470
2,5-dibromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]aniline
CID 63446452
2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119121988
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63419332
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine
CID 169385560
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
CID 55168156
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline (CID 63271150) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline is COc1ccccc1NCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline?
The InChIKey is QPLXJDPGDRWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)11-14-10-13(8-9-16(14)21-18)12-19-15-6-4-5-7-17(15)20-3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline has a molecular weight of 283.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 63271150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).