N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine

C17H19NO2 — CID 62631823

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NC(C)c1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C17H19NO2/c1-3-14(16-9-6-10-19-16)18-12(2)17-11-13-7-4-5-8-15(13)20-17/h4-12,14,18H,3H2,1-2H3
InChIKeyXKYXZDQOFLCESF-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.83
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine

N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 62631823) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
PubChem CID62631823
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NC(C)c1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C17H19NO2/c1-3-14(16-9-6-10-19-16)18-12(2)17-11-13-7-4-5-8-15(13)20-17/h4-12,14,18H,3H2,1-2H3
InChIKeyXKYXZDQOFLCESF-UHFFFAOYSA-N
XLogP4.83
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine (CID 62631823) is N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine is CCC(NC(C)c1cc2ccccc2o1)c1ccco1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is XKYXZDQOFLCESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-14(16-9-6-10-19-16)18-12(2)17-11-13-7-4-5-8-15(13)20-17/h4-12,14,18H,3H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 269.34 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 62631823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).