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

C16H20FNO — CID 112631399

IUPAC1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C)o1)c1ccccc1F
InChIInChI=1S/C16H20FNO/c1-4-15(13-7-5-6-8-14(13)17)18-12(3)16-10-9-11(2)19-16/h5-10,12,15,18H,4H2,1-3H3
InChIKeyIMXYOTZDHHPBAM-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.53
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 112631399) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID112631399
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C)o1)c1ccccc1F
InChIInChI=1S/C16H20FNO/c1-4-15(13-7-5-6-8-14(13)17)18-12(3)16-10-9-11(2)19-16/h5-10,12,15,18H,4H2,1-3H3
InChIKeyIMXYOTZDHHPBAM-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387884
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931
1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 112676995
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
1-(2-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167905
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43674237
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 112633052

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (CID 112631399) is 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is CCC(NC(C)c1ccc(C)o1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is IMXYOTZDHHPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-4-15(13-7-5-6-8-14(13)17)18-12(3)16-10-9-11(2)19-16/h5-10,12,15,18H,4H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 112631399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).