4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline

C18H19FN2 — CID 143682053

IUPAC4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline
SMILESC=C(NC1(c2ccc(F)cc2)CC1)c1ccc(NC)cc1
InChIInChI=1S/C18H19FN2/c1-13(14-3-9-17(20-2)10-4-14)21-18(11-12-18)15-5-7-16(19)8-6-15/h3-10,20-21H,1,11-12H2,2H3
InChIKeyGCEHGTQRRKZHGS-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.12
Rot. Bonds5

About 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline

4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline (PubChem CID 143682053) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline
PubChem CID143682053
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline
SMILESC=C(NC1(c2ccc(F)cc2)CC1)c1ccc(NC)cc1
InChIInChI=1S/C18H19FN2/c1-13(14-3-9-17(20-2)10-4-14)21-18(11-12-18)15-5-7-16(19)8-6-15/h3-10,20-21H,1,11-12H2,2H3
InChIKeyGCEHGTQRRKZHGS-UHFFFAOYSA-N
XLogP4.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline?
The IUPAC name of 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline (CID 143682053) is 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline is C=C(NC1(c2ccc(F)cc2)CC1)c1ccc(NC)cc1.
What is the InChIKey of 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline?
The InChIKey is GCEHGTQRRKZHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-13(14-3-9-17(20-2)10-4-14)21-18(11-12-18)15-5-7-16(19)8-6-15/h3-10,20-21H,1,11-12H2,2H3.
What are the key properties of 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline?
4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline has a molecular weight of 282.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline is sourced from PubChem (CID 143682053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).