N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine

C19H22FN3O — CID 166315188

IUPACN-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc(-c3ccco3)cc2F)c(C)n1C
InChIInChI=1S/C19H22FN3O/c1-12(19-13(2)23(4)14(3)22-19)21-11-16-8-7-15(10-17(16)20)18-6-5-9-24-18/h5-10,12,21H,11H2,1-4H3
InChIKeySWUWOYQKVPONKM-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.29
Rot. Bonds5

About N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine

N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine (PubChem CID 166315188) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine
PubChem CID166315188
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc(-c3ccco3)cc2F)c(C)n1C
InChIInChI=1S/C19H22FN3O/c1-12(19-13(2)23(4)14(3)22-19)21-11-16-8-7-15(10-17(16)20)18-6-5-9-24-18/h5-10,12,21H,11H2,1-4H3
InChIKeySWUWOYQKVPONKM-UHFFFAOYSA-N
XLogP4.29
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine?
The IUPAC name of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine (CID 166315188) is N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine is Cc1nc(C(C)NCc2ccc(-c3ccco3)cc2F)c(C)n1C.
What is the InChIKey of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine?
The InChIKey is SWUWOYQKVPONKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-12(19-13(2)23(4)14(3)22-19)21-11-16-8-7-15(10-17(16)20)18-6-5-9-24-18/h5-10,12,21H,11H2,1-4H3.
What are the key properties of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine?
N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine has a molecular weight of 327.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(1,2,5-trimethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 166315188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).