N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline

C17H18FN — CID 138653408

IUPACN-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline
SMILESC=C(c1cccc(C)c1F)N(C)c1ccc(C)cc1
InChIInChI=1S/C17H18FN/c1-12-8-10-15(11-9-12)19(4)14(3)16-7-5-6-13(2)17(16)18/h5-11H,3H2,1-2,4H3
InChIKeyIBTIMVPFCZTYBO-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.55
Rot. Bonds3

About N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline

N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline (PubChem CID 138653408) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline
PubChem CID138653408
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline
SMILESC=C(c1cccc(C)c1F)N(C)c1ccc(C)cc1
InChIInChI=1S/C17H18FN/c1-12-8-10-15(11-9-12)19(4)14(3)16-7-5-6-13(2)17(16)18/h5-11H,3H2,1-2,4H3
InChIKeyIBTIMVPFCZTYBO-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline?
The IUPAC name of N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline (CID 138653408) is N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline?
The canonical SMILES for N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline is C=C(c1cccc(C)c1F)N(C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline?
The InChIKey is IBTIMVPFCZTYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-8-10-15(11-9-12)19(4)14(3)16-7-5-6-13(2)17(16)18/h5-11H,3H2,1-2,4H3.
What are the key properties of N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline?
N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline has a molecular weight of 255.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-3-methylphenyl)ethenyl]-N,4-dimethylaniline is sourced from PubChem (CID 138653408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).