2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline

C19H18FNOS — CID 166141132

IUPAC2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline
SMILESCOc1ccc(-c2ccc(CNc3ccccc3F)s2)cc1C
InChIInChI=1S/C19H18FNOS/c1-13-11-14(7-9-18(13)22-2)19-10-8-15(23-19)12-21-17-6-4-3-5-16(17)20/h3-11,21H,12H2,1-2H3
InChIKeyKNZOUFANHXCRCL-UHFFFAOYSA-N
MW327.42 g/mol
LogP5.48
Rot. Bonds5

About 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline

2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline (PubChem CID 166141132) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline
PubChem CID166141132
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline
SMILESCOc1ccc(-c2ccc(CNc3ccccc3F)s2)cc1C
InChIInChI=1S/C19H18FNOS/c1-13-11-14(7-9-18(13)22-2)19-10-8-15(23-19)12-21-17-6-4-3-5-16(17)20/h3-11,21H,12H2,1-2H3
InChIKeyKNZOUFANHXCRCL-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline (CID 166141132) is 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline is COc1ccc(-c2ccc(CNc3ccccc3F)s2)cc1C.
What is the InChIKey of 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline?
The InChIKey is KNZOUFANHXCRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS/c1-13-11-14(7-9-18(13)22-2)19-10-8-15(23-19)12-21-17-6-4-3-5-16(17)20/h3-11,21H,12H2,1-2H3.
What are the key properties of 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline?
2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline has a molecular weight of 327.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]aniline is sourced from PubChem (CID 166141132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).