2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol

C19H21NO3 — CID 97232707

IUPAC2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
SMILESC[C@@H](NCc1ccccc1OCCO)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO3/c1-14(19-12-15-6-2-5-9-18(15)23-19)20-13-16-7-3-4-8-17(16)22-11-10-21/h2-9,12,14,20-21H,10-11,13H2,1H3/t14-/m1/s1
InChIKeyMGRRBOOXDIUZEJ-CQSZACIVSA-N
MW311.38 g/mol
LogP3.65
Rot. Bonds7

About 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol

2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol (PubChem CID 97232707) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
PubChem CID97232707
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
SMILESC[C@@H](NCc1ccccc1OCCO)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO3/c1-14(19-12-15-6-2-5-9-18(15)23-19)20-13-16-7-3-4-8-17(16)22-11-10-21/h2-9,12,14,20-21H,10-11,13H2,1H3/t14-/m1/s1
InChIKeyMGRRBOOXDIUZEJ-CQSZACIVSA-N
XLogP3.65
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
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
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
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-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47009083
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
CID 110010841
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol (CID 97232707) is 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol is C[C@@H](NCc1ccccc1OCCO)c1cc2ccccc2o1.
What is the InChIKey of 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol?
The InChIKey is MGRRBOOXDIUZEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(19-12-15-6-2-5-9-18(15)23-19)20-13-16-7-3-4-8-17(16)22-11-10-21/h2-9,12,14,20-21H,10-11,13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol?
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol has a molecular weight of 311.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol is sourced from PubChem (CID 97232707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).