1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol

C22H28N2O3 — CID 70467633

IUPAC1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol
SMILESCNCCOc1ccc(CC(C)NCC(O)c2occ3ccccc23)cc1
InChIInChI=1S/C22H28N2O3/c1-16(13-17-7-9-19(10-8-17)26-12-11-23-2)24-14-21(25)22-20-6-4-3-5-18(20)15-27-22/h3-10,15-16,21,23-25H,11-14H2,1-2H3
InChIKeyXZIYFFUURUACAT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.29
Rot. Bonds10

About 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol

1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol (PubChem CID 70467633) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol
PubChem CID70467633
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol
SMILESCNCCOc1ccc(CC(C)NCC(O)c2occ3ccccc23)cc1
InChIInChI=1S/C22H28N2O3/c1-16(13-17-7-9-19(10-8-17)26-12-11-23-2)24-14-21(25)22-20-6-4-3-5-18(20)15-27-22/h3-10,15-16,21,23-25H,11-14H2,1-2H3
InChIKeyXZIYFFUURUACAT-UHFFFAOYSA-N
XLogP3.29
TPSA66.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
CID 70507594
methyl 4-[2-[[(2R)-2-(2-benzofuran-1-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 70545400
1-(3-fluorophenyl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol;dihydrobromide
CID 70468513
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-[[(2R)-1-[4-(2-phenylmethoxyethoxy)phenyl]propan-2-yl]amino]ethyl]phenol
CID 10195165
2-[4-[(2R)-2-[[2-(2-benzofuran-1-yl)-2-hydroxyethyl]-[(1R)-1-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetic acid
CID 67933293
N-[2-(3-bromophenyl)-2-methoxyethyl]-1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-amine
CID 70471616
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
CID 154335865
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
5-hydroxy-2-[[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]phenoxy]methyl]pyran-4-one
CID 19874576
ethyl 2-[4-[(2R)-2-[[2-(2-benzofuran-1-yl)-2-hydroxyethyl]-[(1R)-1-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 67933189

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol?
The IUPAC name of 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol (CID 70467633) is 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol?
The canonical SMILES for 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol is CNCCOc1ccc(CC(C)NCC(O)c2occ3ccccc23)cc1.
What is the InChIKey of 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol?
The InChIKey is XZIYFFUURUACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(13-17-7-9-19(10-8-17)26-12-11-23-2)24-14-21(25)22-20-6-4-3-5-18(20)15-27-22/h3-10,15-16,21,23-25H,11-14H2,1-2H3.
What are the key properties of 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol?
1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol has a molecular weight of 368.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol is sourced from PubChem (CID 70467633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).