5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol

C18H21NO2 — CID 107700263

IUPAC5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1O
InChIInChI=1S/C18H21NO2/c1-12-7-8-15(9-16(12)20)19-11-14-6-4-5-13-10-18(2,3)21-17(13)14/h4-9,19-20H,10-11H2,1-3H3
InChIKeyOTQVRIWFLNFRBH-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.03
Rot. Bonds3

About 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol

5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol (PubChem CID 107700263) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol
PubChem CID107700263
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1O
InChIInChI=1S/C18H21NO2/c1-12-7-8-15(9-16(12)20)19-11-14-6-4-5-13-10-18(2,3)21-17(13)14/h4-9,19-20H,10-11H2,1-3H3
InChIKeyOTQVRIWFLNFRBH-UHFFFAOYSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol 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-7-yl)methyl]-3-iodo-4-methylaniline
CID 64508368
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylaniline
CID 64509027
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
3-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylaniline
CID 107582306
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 75518165
4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
CID 115641600
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
CID 116519991
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
CID 107234323
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine
CID 126782877
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
CID 64865774
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol?
The IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol (CID 107700263) is 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol.
What is the SMILES notation for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol?
The canonical SMILES for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol is Cc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1O.
What is the InChIKey of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol?
The InChIKey is OTQVRIWFLNFRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-7-8-15(9-16(12)20)19-11-14-6-4-5-13-10-18(2,3)21-17(13)14/h4-9,19-20H,10-11H2,1-3H3.
What are the key properties of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol?
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol has a molecular weight of 283.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol is sourced from PubChem (CID 107700263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).