N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

C16H19ClFNO — CID 107891629

IUPACN-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)c1coc(C)c1
InChIInChI=1S/C16H19ClFNO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-4-5-14(17)15(18)8-12/h4-5,7-8,10,16,19H,3,6,9H2,1-2H3
InChIKeyQTLYLOFCBHVCLR-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 107891629) has the molecular formula C16H19ClFNO and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
PubChem CID107891629
Molecular FormulaC16H19ClFNO
Molecular Weight295.79 g/mol
Exact Mass295.11
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)c1coc(C)c1
InChIInChI=1S/C16H19ClFNO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-4-5-14(17)15(18)8-12/h4-5,7-8,10,16,19H,3,6,9H2,1-2H3
InChIKeyQTLYLOFCBHVCLR-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849
N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 107892231
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
N-[2-(4-chloro-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107969557
N-[2-(4-chloro-3-fluorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 107892255
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 107892569
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (CID 107891629) is N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(F)c1)c1coc(C)c1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is QTLYLOFCBHVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-4-5-14(17)15(18)8-12/h4-5,7-8,10,16,19H,3,6,9H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 295.79 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107891629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).