4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol

C18H21NO2 — CID 115641600

IUPAC4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
SMILESCC1(C)Cc2cccc(CNCc3ccc(O)cc3)c2O1
InChIInChI=1S/C18H21NO2/c1-18(2)10-14-4-3-5-15(17(14)21-18)12-19-11-13-6-8-16(20)9-7-13/h3-9,19-20H,10-12H2,1-2H3
InChIKeyFXKGWGBEYZDFRT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.40
Rot. Bonds4

About 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol

4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol (PubChem CID 115641600) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
PubChem CID115641600
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
SMILESCC1(C)Cc2cccc(CNCc3ccc(O)cc3)c2O1
InChIInChI=1S/C18H21NO2/c1-18(2)10-14-4-3-5-15(17(14)21-18)12-19-11-13-6-8-16(20)9-7-13/h3-9,19-20H,10-12H2,1-2H3
InChIKeyFXKGWGBEYZDFRT-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol with MolForge

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Related Compounds

1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
CID 64688757
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731540
2-[1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750045
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721598
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 64508375
N-[4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166200060
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol
CID 107700263
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417645

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol (CID 115641600) is 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol is CC1(C)Cc2cccc(CNCc3ccc(O)cc3)c2O1.
What is the InChIKey of 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol?
The InChIKey is FXKGWGBEYZDFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)10-14-4-3-5-15(17(14)21-18)12-19-11-13-6-8-16(20)9-7-13/h3-9,19-20H,10-12H2,1-2H3.
What are the key properties of 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol?
4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115641600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).