(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol

C18H21NO4 — CID 97336246

IUPAC(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol
SMILESCOc1cccc2cc([C@@H](C)NC[C@@](C)(O)c3ccco3)oc12
InChIInChI=1S/C18H21NO4/c1-12(19-11-18(2,20)16-8-5-9-22-16)15-10-13-6-4-7-14(21-3)17(13)23-15/h4-10,12,19-20H,11H2,1-3H3/t12-,18-/m1/s1
InChIKeyYJFMIKGXJIVNPK-KZULUSFZSA-N
MW315.37 g/mol
LogP3.59
Rot. Bonds6

About (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol

(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol (PubChem CID 97336246) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol
PubChem CID97336246
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol
SMILESCOc1cccc2cc([C@@H](C)NC[C@@](C)(O)c3ccco3)oc12
InChIInChI=1S/C18H21NO4/c1-12(19-11-18(2,20)16-8-5-9-22-16)15-10-13-6-4-7-14(21-3)17(13)23-15/h4-10,12,19-20H,11H2,1-3H3/t12-,18-/m1/s1
InChIKeyYJFMIKGXJIVNPK-KZULUSFZSA-N
XLogP3.59
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol with MolForge

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Related Compounds

3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol
CID 175788612
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]hex-5-yn-1-amine
CID 103921979
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
CID 103935727
2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175069255
(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol
CID 97232870
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 104578623
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol?
The IUPAC name of (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol (CID 97336246) is (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol is COc1cccc2cc([C@@H](C)NC[C@@](C)(O)c3ccco3)oc12.
What is the InChIKey of (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol?
The InChIKey is YJFMIKGXJIVNPK-KZULUSFZSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12(19-11-18(2,20)16-8-5-9-22-16)15-10-13-6-4-7-14(21-3)17(13)23-15/h4-10,12,19-20H,11H2,1-3H3/t12-,18-/m1/s1.
What are the key properties of (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol?
(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol has a molecular weight of 315.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 97336246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).