N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline

C17H14FNS — CID 61060965

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
SMILESFc1ccc(CNc2ccccc2)cc1-c1cccs1
InChIInChI=1S/C17H14FNS/c18-16-9-8-13(11-15(16)17-7-4-10-20-17)12-19-14-5-2-1-3-6-14/h1-11,19H,12H2
InChIKeyXYEIBSDVURFKMB-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.17
Rot. Bonds4

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline (PubChem CID 61060965) has the molecular formula C17H14FNS and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
PubChem CID61060965
Molecular FormulaC17H14FNS
Molecular Weight283.37 g/mol
Exact Mass283.08
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
SMILESFc1ccc(CNc2ccccc2)cc1-c1cccs1
InChIInChI=1S/C17H14FNS/c18-16-9-8-13(11-15(16)17-7-4-10-20-17)12-19-14-5-2-1-3-6-14/h1-11,19H,12H2
InChIKeyXYEIBSDVURFKMB-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline (CID 61060965) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline is Fc1ccc(CNc2ccccc2)cc1-c1cccs1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
The InChIKey is XYEIBSDVURFKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNS/c18-16-9-8-13(11-15(16)17-7-4-10-20-17)12-19-14-5-2-1-3-6-14/h1-11,19H,12H2.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline has a molecular weight of 283.37 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 61060965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).