4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol

C16H19NO2 — CID 115466423

IUPAC4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCCc3occc32)cc1
InChIInChI=1S/C16H19NO2/c18-13-6-4-12(5-7-13)8-10-17-15-2-1-3-16-14(15)9-11-19-16/h4-7,9,11,15,17-18H,1-3,8,10H2
InChIKeyVVUDISAWFAVELC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.19
Rot. Bonds4

About 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol

4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol (PubChem CID 115466423) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
PubChem CID115466423
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCCc3occc32)cc1
InChIInChI=1S/C16H19NO2/c18-13-6-4-12(5-7-13)8-10-17-15-2-1-3-16-14(15)9-11-19-16/h4-7,9,11,15,17-18H,1-3,8,10H2
InChIKeyVVUDISAWFAVELC-UHFFFAOYSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 43208224
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208228
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439
N-(5-methylsulfanylpentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107094031
N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465990

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol (CID 115466423) is 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol is Oc1ccc(CCNC2CCCc3occc32)cc1.
What is the InChIKey of 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol?
The InChIKey is VVUDISAWFAVELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-13-6-4-12(5-7-13)8-10-17-15-2-1-3-16-14(15)9-11-19-16/h4-7,9,11,15,17-18H,1-3,8,10H2.
What are the key properties of 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol?
4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol is sourced from PubChem (CID 115466423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).