1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

C17H20FNO — CID 43180811

IUPAC1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(C2CC2C)o1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-11-9-16(11)17-8-7-15(20-17)10-19-12(2)13-3-5-14(18)6-4-13/h3-8,11-12,16,19H,9-10H2,1-2H3
InChIKeyUEEQFOGBVUUFGP-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (PubChem CID 43180811) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
PubChem CID43180811
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(C2CC2C)o1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-11-9-16(11)17-8-7-15(20-17)10-19-12(2)13-3-5-14(18)6-4-13/h3-8,11-12,16,19H,9-10H2,1-2H3
InChIKeyUEEQFOGBVUUFGP-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81353783
1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 62050449
1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43079068
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
CID 115640014

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (CID 43180811) is 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is CC(NCc1ccc(C2CC2C)o1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The InChIKey is UEEQFOGBVUUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-9-16(11)17-8-7-15(20-17)10-19-12(2)13-3-5-14(18)6-4-13/h3-8,11-12,16,19H,9-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 43180811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).