3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol

C14H15NO2 — CID 113315131

IUPAC3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
SMILESOc1cccc(NC2CCCc3occc32)c1
InChIInChI=1S/C14H15NO2/c16-11-4-1-3-10(9-11)15-13-5-2-6-14-12(13)7-8-17-14/h1,3-4,7-9,13,15-16H,2,5-6H2
InChIKeyOLJFAUXBKPYSCK-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.47
Rot. Bonds2

About 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol

3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol (PubChem CID 113315131) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
PubChem CID113315131
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
SMILESOc1cccc(NC2CCCc3occc32)c1
InChIInChI=1S/C14H15NO2/c16-11-4-1-3-10(9-11)15-13-5-2-6-14-12(13)7-8-17-14/h1,3-4,7-9,13,15-16H,2,5-6H2
InChIKeyOLJFAUXBKPYSCK-UHFFFAOYSA-N
XLogP3.47
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115465981
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465964
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115465942
N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465919
N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466145
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466063
3-N,3-N,4-trimethyl-1-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzene-1,3-diamine
CID 115466645
2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 106954243
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
CID 115465939
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol (CID 113315131) is 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol is Oc1cccc(NC2CCCc3occc32)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
The InChIKey is OLJFAUXBKPYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-11-4-1-3-10(9-11)15-13-5-2-6-14-12(13)7-8-17-14/h1,3-4,7-9,13,15-16H,2,5-6H2.
What are the key properties of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol has a molecular weight of 229.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol is sourced from PubChem (CID 113315131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).