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

C21H26N2O2 — CID 70507594

IUPAC1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
SMILESCNCc1ccc(CC(C)NCC(O)c2occ3ccccc23)cc1
InChIInChI=1S/C21H26N2O2/c1-15(11-16-7-9-17(10-8-16)12-22-2)23-13-20(24)21-19-6-4-3-5-18(19)14-25-21/h3-10,14-15,20,22-24H,11-13H2,1-2H3
InChIKeyMBOIKDHELNWGNP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.41
Rot. Bonds8

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

1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol (PubChem CID 70507594) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
PubChem CID70507594
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
SMILESCNCc1ccc(CC(C)NCC(O)c2occ3ccccc23)cc1
InChIInChI=1S/C21H26N2O2/c1-15(11-16-7-9-17(10-8-16)12-22-2)23-13-20(24)21-19-6-4-3-5-18(19)14-25-21/h3-10,14-15,20,22-24H,11-13H2,1-2H3
InChIKeyMBOIKDHELNWGNP-UHFFFAOYSA-N
XLogP3.41
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzofuran-1-yl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol
CID 70467633
methyl 4-[2-[[(2R)-2-(2-benzofuran-1-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 70545400
1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
CID 70559473
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 16736096
methyl 4-[3-[[2-(2-benzofuran-1-yl)-2-hydroxyethyl]amino]-3-methylbutyl]benzoate
CID 70481004
methyl 4-[2-[[2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 12816504
(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
CID 154335865
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
methyl 4-[(2R)-2-[[(2R)-2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]propyl]benzoate;hydrochloride
CID 22821087
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The IUPAC name of 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol (CID 70507594) is 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The canonical SMILES for 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol is CNCc1ccc(CC(C)NCC(O)c2occ3ccccc23)cc1.
What is the InChIKey of 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The InChIKey is MBOIKDHELNWGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(11-16-7-9-17(10-8-16)12-22-2)23-13-20(24)21-19-6-4-3-5-18(19)14-25-21/h3-10,14-15,20,22-24H,11-13H2,1-2H3.
What are the key properties of 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol has a molecular weight of 338.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol is sourced from PubChem (CID 70507594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).