4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

C16H14FNS2 — CID 43764932

IUPAC4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H14FNS2/c1-11-7-13(17)4-5-15(11)18-9-14-8-12(10-20-14)16-3-2-6-19-16/h2-8,10,18H,9H2,1H3
InChIKeySCWLHCWVTLEZLW-UHFFFAOYSA-N
MW303.43 g/mol
LogP5.54
Rot. Bonds4

About 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (PubChem CID 43764932) has the molecular formula C16H14FNS2 and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
PubChem CID43764932
Molecular FormulaC16H14FNS2
Molecular Weight303.43 g/mol
Exact Mass303.06
IUPAC Name4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H14FNS2/c1-11-7-13(17)4-5-15(11)18-9-14-8-12(10-20-14)16-3-2-6-19-16/h2-8,10,18H,9H2,1H3
InChIKeySCWLHCWVTLEZLW-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 63476524
5-fluoro-2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]benzonitrile
CID 82014697
2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43759563
4-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyridin-3-amine
CID 63329419
5-fluoro-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63422974
2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43788820
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43764924
4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
CID 43790423
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
4-N,4-N-dimethyl-1-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 43778754
3-fluoro-4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43775928

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (CID 43764932) is 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is Cc1cc(F)ccc1NCc1cc(-c2cccs2)cs1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The InChIKey is SCWLHCWVTLEZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS2/c1-11-7-13(17)4-5-15(11)18-9-14-8-12(10-20-14)16-3-2-6-19-16/h2-8,10,18H,9H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline has a molecular weight of 303.43 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43764932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).