2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C16H19ClFNO — CID 115840518

IUPAC2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1c(C)oc(C)c1C
InChIInChI=1S/C16H19ClFNO/c1-9-10(2)20-11(3)16(9)15(19-4)7-12-5-6-13(18)8-14(12)17/h5-6,8,15,19H,7H2,1-4H3
InChIKeyRVCIDTMGFBKNHV-UHFFFAOYSA-N
MW295.78 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 115840518) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID115840518
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1c(C)oc(C)c1C
InChIInChI=1S/C16H19ClFNO/c1-9-10(2)20-11(3)16(9)15(19-4)7-12-5-6-13(18)8-14(12)17/h5-6,8,15,19H,7H2,1-4H3
InChIKeyRVCIDTMGFBKNHV-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153051
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804658
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115840099
1-(3-bromo-4-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840570
1-(3-bromo-5-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840406
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155784
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 63419902
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 115840518) is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CNC(Cc1ccc(F)cc1Cl)c1c(C)oc(C)c1C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is RVCIDTMGFBKNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-9-10(2)20-11(3)16(9)15(19-4)7-12-5-6-13(18)8-14(12)17/h5-6,8,15,19H,7H2,1-4H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 295.78 g/mol, XLogP of 4.50, 4 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-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 115840518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).