2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline

C16H16FN — CID 167290993

IUPAC2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline
SMILESC/C(=C\c1ccccc1N)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-12(10-13-6-8-15(17)9-7-13)11-14-4-2-3-5-16(14)18/h2-9,11H,10,18H2,1H3/b12-11+
InChIKeyACYJXVIPHDBBAX-VAWYXSNFSA-N
MW241.31 g/mol
LogP4.05
Rot. Bonds3

About 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline

2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline (PubChem CID 167290993) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline.

Molecular Properties

Compound Name2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline
PubChem CID167290993
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline
SMILESC/C(=C\c1ccccc1N)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-12(10-13-6-8-15(17)9-7-13)11-14-4-2-3-5-16(14)18/h2-9,11H,10,18H2,1H3/b12-11+
InChIKeyACYJXVIPHDBBAX-VAWYXSNFSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.05
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

(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 5376034
(Z)-5-(4-fluorophenyl)-4-methylpent-3-en-2-ol
CID 114835346
ethyl (E)-4-(2-aminophenyl)-3-methylbut-3-enoate
CID 163683237
1-fluoro-4-(2-methylprop-2-enyl)benzene
CID 10954713
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451
1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 148613451
N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
CID 63230441
2-[(E)-2,3,3-trifluoroprop-1-enyl]aniline
CID 171548656
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
CID 91620735
1-(4-fluorophenyl)butane-2,3-dione
CID 83696223
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline?
The IUPAC name of 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline (CID 167290993) is 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline.
What is the SMILES notation for 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline?
The canonical SMILES for 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline is C/C(=C\c1ccccc1N)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline?
The InChIKey is ACYJXVIPHDBBAX-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16FN/c1-12(10-13-6-8-15(17)9-7-13)11-14-4-2-3-5-16(14)18/h2-9,11H,10,18H2,1H3/b12-11+.
What are the key properties of 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline?
2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline has a molecular weight of 241.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-fluorophenyl)-2-methylprop-1-enyl]aniline is sourced from PubChem (CID 167290993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).