4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline

C16H16FN — CID 129135425

IUPAC4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C16H16FN/c1-12(2)18-15-9-7-13(8-10-15)11-14-5-3-4-6-16(14)17/h3-10,18H,1,11H2,2H3
InChIKeyZLMMOWGJXFCOTM-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.36
Rot. Bonds4

About 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline

4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline (PubChem CID 129135425) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
PubChem CID129135425
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C16H16FN/c1-12(2)18-15-9-7-13(8-10-15)11-14-5-3-4-6-16(14)17/h3-10,18H,1,11H2,2H3
InChIKeyZLMMOWGJXFCOTM-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline
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N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline (CID 129135425) is 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline is C=C(C)Nc1ccc(Cc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline?
The InChIKey is ZLMMOWGJXFCOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-12(2)18-15-9-7-13(8-10-15)11-14-5-3-4-6-16(14)17/h3-10,18H,1,11H2,2H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline?
4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline has a molecular weight of 241.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 129135425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).