N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine

C15H18BrNO2 — CID 43207318

IUPACN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H18BrNO2/c1-3-18-8-4-7-17-11(2)15-10-12-9-13(16)5-6-14(12)19-15/h3,5-6,9-11,17H,1,4,7-8H2,2H3
InChIKeySRMJZNFCMJKUID-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.40
Rot. Bonds7

About N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine (PubChem CID 43207318) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
PubChem CID43207318
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H18BrNO2/c1-3-18-8-4-7-17-11(2)15-10-12-9-13(16)5-6-14(12)19-15/h3,5-6,9-11,17H,1,4,7-8H2,2H3
InChIKeySRMJZNFCMJKUID-UHFFFAOYSA-N
XLogP4.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.40
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-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
CID 103082635
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
1-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43104320
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,2-diethoxyethanamine
CID 79538274
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 43371437
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
1-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103921443
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine (CID 43207318) is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine is C=COCCCNC(C)c1cc2cc(Br)ccc2o1.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
The InChIKey is SRMJZNFCMJKUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-18-8-4-7-17-11(2)15-10-12-9-13(16)5-6-14(12)19-15/h3,5-6,9-11,17H,1,4,7-8H2,2H3.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine?
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine has a molecular weight of 324.22 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine is sourced from PubChem (CID 43207318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).