4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol

C15H17NO2 — CID 43208224

IUPAC4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
SMILESOc1ccc(CNC2CCCc3occc32)cc1
InChIInChI=1S/C15H17NO2/c17-12-6-4-11(5-7-12)10-16-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,16-17H,1-3,10H2
InChIKeyANMCHFOTVQJMBC-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.15
Rot. Bonds3

About 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol

4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol (PubChem CID 43208224) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
PubChem CID43208224
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
SMILESOc1ccc(CNC2CCCc3occc32)cc1
InChIInChI=1S/C15H17NO2/c17-12-6-4-11(5-7-12)10-16-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,16-17H,1-3,10H2
InChIKeyANMCHFOTVQJMBC-UHFFFAOYSA-N
XLogP3.15
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
The IUPAC name of 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol (CID 43208224) is 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
The canonical SMILES for 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol is Oc1ccc(CNC2CCCc3occc32)cc1.
What is the InChIKey of 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
The InChIKey is ANMCHFOTVQJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-12-6-4-11(5-7-12)10-16-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,16-17H,1-3,10H2.
What are the key properties of 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol is sourced from PubChem (CID 43208224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).