1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C13H22BrNO2 — CID 103031302

IUPAC1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(Br)o1
InChIInChI=1S/C13H22BrNO2/c1-5-15-10(8-9-13(2,3)16-4)11-6-7-12(14)17-11/h6-7,10,15H,5,8-9H2,1-4H3
InChIKeyFBYBTQMEPVUVQS-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.90
Rot. Bonds7

About 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031302) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031302
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(Br)o1
InChIInChI=1S/C13H22BrNO2/c1-5-15-10(8-9-13(2,3)16-4)11-6-7-12(14)17-11/h6-7,10,15H,5,8-9H2,1-4H3
InChIKeyFBYBTQMEPVUVQS-UHFFFAOYSA-N
XLogP3.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031765
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031752
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031415

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031302) is 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is FBYBTQMEPVUVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-5-15-10(8-9-13(2,3)16-4)11-6-7-12(14)17-11/h6-7,10,15H,5,8-9H2,1-4H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).