2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine

C14H14BrClFNO — CID 106692784

IUPAC2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1ccc(Cl)o1
InChIInChI=1S/C14H14BrClFNO/c1-2-18-11(12-6-7-13(16)19-12)8-9-4-3-5-10(17)14(9)15/h3-7,11,18H,2,8H2,1H3
InChIKeyPPCXZMRRRSOXRX-UHFFFAOYSA-N
MW346.63 g/mol
LogP4.73
Rot. Bonds5

About 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine

2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine (PubChem CID 106692784) has the molecular formula C14H14BrClFNO and a molecular weight of 346.63 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
PubChem CID106692784
Molecular FormulaC14H14BrClFNO
Molecular Weight346.63 g/mol
Exact Mass344.99
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1ccc(Cl)o1
InChIInChI=1S/C14H14BrClFNO/c1-2-18-11(12-6-7-13(16)19-12)8-9-4-3-5-10(17)14(9)15/h3-7,11,18H,2,8H2,1H3
InChIKeyPPCXZMRRRSOXRX-UHFFFAOYSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105020553
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-(5-chlorofuran-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 106687833
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
CID 106693463
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine (CID 106692784) is 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Br)c1ccc(Cl)o1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
The InChIKey is PPCXZMRRRSOXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFNO/c1-2-18-11(12-6-7-13(16)19-12)8-9-4-3-5-10(17)14(9)15/h3-7,11,18H,2,8H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine has a molecular weight of 346.63 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 106692784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).