N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine

C15H19NO2 — CID 43207338

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-3-17-10-6-9-16-12(2)15-11-13-7-4-5-8-14(13)18-15/h3-5,7-8,11-12,16H,1,6,9-10H2,2H3
InChIKeyUICXXZYMZQDBTM-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.63
Rot. Bonds7

About N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine

N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine (PubChem CID 43207338) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
PubChem CID43207338
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-3-17-10-6-9-16-12(2)15-11-13-7-4-5-8-14(13)18-15/h3-5,7-8,11-12,16H,1,6,9-10H2,2H3
InChIKeyUICXXZYMZQDBTM-UHFFFAOYSA-N
XLogP3.63
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207318
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906093
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 97323660
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine (CID 43207338) is N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine is C=COCCCNC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
The InChIKey is UICXXZYMZQDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-17-10-6-9-16-12(2)15-11-13-7-4-5-8-14(13)18-15/h3-5,7-8,11-12,16H,1,6,9-10H2,2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 3.63, 7 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]-3-ethenoxypropan-1-amine is sourced from PubChem (CID 43207338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).