1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine

C14H15BrClNO — CID 106854656

IUPAC1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1ccoc1Br
InChIInChI=1S/C14H15BrClNO/c1-2-17-13(11-7-8-18-14(11)15)9-10-5-3-4-6-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyCXBCPXCIPKZABV-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.59
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine

1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine (PubChem CID 106854656) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
PubChem CID106854656
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1ccoc1Br
InChIInChI=1S/C14H15BrClNO/c1-2-17-13(11-7-8-18-14(11)15)9-10-5-3-4-6-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyCXBCPXCIPKZABV-UHFFFAOYSA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
[1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 106859708
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(2-bromofuran-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 106857185
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine (CID 106854656) is 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The InChIKey is CXBCPXCIPKZABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-2-17-13(11-7-8-18-14(11)15)9-10-5-3-4-6-12(10)16/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine has a molecular weight of 328.64 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 106854656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).