2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol

C17H17NO2 — CID 43722013

IUPAC2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
SMILESCC(NCc1ccccc1O)c1cc2ccccc2o1
InChIInChI=1S/C17H17NO2/c1-12(18-11-14-7-2-4-8-15(14)19)17-10-13-6-3-5-9-16(13)20-17/h2-10,12,18-19H,11H2,1H3
InChIKeyRUCCFFCXSIXXOV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.99
Rot. Bonds4

About 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol (PubChem CID 43722013) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
PubChem CID43722013
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
SMILESCC(NCc1ccccc1O)c1cc2ccccc2o1
InChIInChI=1S/C17H17NO2/c1-12(18-11-14-7-2-4-8-15(14)19)17-10-13-6-3-5-9-16(13)20-17/h2-10,12,18-19H,11H2,1H3
InChIKeyRUCCFFCXSIXXOV-UHFFFAOYSA-N
XLogP3.99
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 115761517
1-(1-benzofuran-2-yl)-N-[(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114750476
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43203173
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol (CID 43722013) is 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol is CC(NCc1ccccc1O)c1cc2ccccc2o1.
What is the InChIKey of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol?
The InChIKey is RUCCFFCXSIXXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(18-11-14-7-2-4-8-15(14)19)17-10-13-6-3-5-9-16(13)20-17/h2-10,12,18-19H,11H2,1H3.
What are the key properties of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol?
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol has a molecular weight of 267.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 43722013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).