1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

C12H20BrNO3 — CID 102928465

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)c1occc1Br
InChIInChI=1S/C12H20BrNO3/c1-3-14-11(5-6-16-9-8-15-2)12-10(13)4-7-17-12/h4,7,11,14H,3,5-6,8-9H2,1-2H3
InChIKeyANSLSVTUGXFBAY-UHFFFAOYSA-N
MW306.20 g/mol
LogP2.75
Rot. Bonds9

About 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102928465) has the molecular formula C12H20BrNO3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102928465
Molecular FormulaC12H20BrNO3
Molecular Weight306.20 g/mol
Exact Mass305.06
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)c1occc1Br
InChIInChI=1S/C12H20BrNO3/c1-3-14-11(5-6-16-9-8-15-2)12-10(13)4-7-17-12/h4,7,11,14H,3,5-6,8-9H2,1-2H3
InChIKeyANSLSVTUGXFBAY-UHFFFAOYSA-N
XLogP2.75
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589
1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 106646214
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63943428
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562
1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 63943410
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (CID 102928465) is 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is CCNC(CCOCCOC)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is ANSLSVTUGXFBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO3/c1-3-14-11(5-6-16-9-8-15-2)12-10(13)4-7-17-12/h4,7,11,14H,3,5-6,8-9H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 306.20 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102928465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).