3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol

C17H19NO2 — CID 43804425

IUPAC3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc3c(c2)CCO3)c(C)c1O
InChIInChI=1S/C17H19NO2/c1-11-3-5-15(12(2)17(11)19)18-10-13-4-6-16-14(9-13)7-8-20-16/h3-6,9,18-19H,7-8,10H2,1-2H3
InChIKeyPPHMBPZUCGRPNL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.56
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol

3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol (PubChem CID 43804425) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
PubChem CID43804425
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc3c(c2)CCO3)c(C)c1O
InChIInChI=1S/C17H19NO2/c1-11-3-5-15(12(2)17(11)19)18-10-13-4-6-16-14(9-13)7-8-20-16/h3-6,9,18-19H,7-8,10H2,1-2H3
InChIKeyPPHMBPZUCGRPNL-UHFFFAOYSA-N
XLogP3.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
CID 43804363
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-3-nitroaniline
CID 43804373
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
4-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-iodoaniline
CID 107631667
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804211
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methylpropane-1,2-diol
CID 66169664

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol (CID 43804425) is 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol is Cc1ccc(NCc2ccc3c(c2)CCO3)c(C)c1O.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol?
The InChIKey is PPHMBPZUCGRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-3-5-15(12(2)17(11)19)18-10-13-4-6-16-14(9-13)7-8-20-16/h3-6,9,18-19H,7-8,10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol?
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol has a molecular weight of 269.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol is sourced from PubChem (CID 43804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).