1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine

C15H18BrNO — CID 63943428

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1occc1Br
InChIInChI=1S/C15H18BrNO/c1-3-17-14(15-13(16)8-9-18-15)10-12-6-4-11(2)5-7-12/h4-9,14,17H,3,10H2,1-2H3
InChIKeyIDUQQIUHNCTGKY-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.24
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine

1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine (PubChem CID 63943428) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
PubChem CID63943428
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1occc1Br
InChIInChI=1S/C15H18BrNO/c1-3-17-14(15-13(16)8-9-18-15)10-12-6-4-11(2)5-7-12/h4-9,14,17H,3,10H2,1-2H3
InChIKeyIDUQQIUHNCTGKY-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63942062
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)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105197805
1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928465
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-ethyl-1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077634

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine (CID 63943428) is 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The InChIKey is IDUQQIUHNCTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-17-14(15-13(16)8-9-18-15)10-12-6-4-11(2)5-7-12/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63943428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).