2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine

C15H17ClFNO — CID 115840534

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1coc(C)c1
InChIInChI=1S/C15H17ClFNO/c1-3-18-15(12-6-10(2)19-9-12)7-11-4-5-13(17)8-14(11)16/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyPGAASXMHPHFBNI-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.27
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 115840534) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
PubChem CID115840534
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1coc(C)c1
InChIInChI=1S/C15H17ClFNO/c1-3-18-15(12-6-10(2)19-9-12)7-11-4-5-13(17)8-14(11)16/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyPGAASXMHPHFBNI-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 63949608
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115843751
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832366
2-(2,4-dichlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115839913
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 63033873
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (CID 115840534) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine is CCNC(Cc1ccc(F)cc1Cl)c1coc(C)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is PGAASXMHPHFBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-3-18-15(12-6-10(2)19-9-12)7-11-4-5-13(17)8-14(11)16/h4-6,8-9,15,18H,3,7H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine has a molecular weight of 281.76 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 115840534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).