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

C15H17ClFNO — CID 114857001

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccoc1C
InChIInChI=1S/C15H17ClFNO/c1-3-18-15(13-6-7-19-10(13)2)8-11-4-5-12(16)9-14(11)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyIKMHIHLEKROSJE-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.27
Rot. Bonds5

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

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 114857001) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID114857001
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccoc1C
InChIInChI=1S/C15H17ClFNO/c1-3-18-15(13-6-7-19-10(13)2)8-11-4-5-12(16)9-14(11)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyIKMHIHLEKROSJE-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

1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790489
[2-(5-chloro-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 103053706
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (CID 114857001) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccoc1C.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is IKMHIHLEKROSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-3-18-15(13-6-7-19-10(13)2)8-11-4-5-12(16)9-14(11)17/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-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-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 114857001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).