2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline

C15H14FN — CID 164673159

IUPAC2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline
SMILESC=C(c1ccc(F)cc1)c1cc(C)ccc1N
InChIInChI=1S/C15H14FN/c1-10-3-8-15(17)14(9-10)11(2)12-4-6-13(16)7-5-12/h3-9H,2,17H2,1H3
InChIKeyNOVTXHHIISVDGL-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.78
Rot. Bonds2

About 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline

2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline (PubChem CID 164673159) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline
PubChem CID164673159
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline
SMILESC=C(c1ccc(F)cc1)c1cc(C)ccc1N
InChIInChI=1S/C15H14FN/c1-10-3-8-15(17)14(9-10)11(2)12-4-6-13(16)7-5-12/h3-9H,2,17H2,1H3
InChIKeyNOVTXHHIISVDGL-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
2-fluoro-4-methylaniline;hydrochloride
CID 139976919
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
2,4-dimethylaniline;methanol
CID 70633605
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
1-fluoro-4-[1-(2-iodophenyl)ethenyl]benzene
CID 175448497
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline
CID 142435968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline?
The IUPAC name of 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline (CID 164673159) is 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline is C=C(c1ccc(F)cc1)c1cc(C)ccc1N.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline?
The InChIKey is NOVTXHHIISVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c1-10-3-8-15(17)14(9-10)11(2)12-4-6-13(16)7-5-12/h3-9H,2,17H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline?
2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline has a molecular weight of 227.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline is sourced from PubChem (CID 164673159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).