N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline

C15H16F3NS — CID 66480735

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1cc(CNc2cc(C(F)(F)F)ccc2C)c(C)s1
InChIInChI=1S/C15H16F3NS/c1-9-4-5-13(15(16,17)18)7-14(9)19-8-12-6-10(2)20-11(12)3/h4-7,19H,8H2,1-3H3
InChIKeyAVUXJHBHWHBPBS-UHFFFAOYSA-N
MW299.36 g/mol
LogP5.30
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66480735) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66480735
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1cc(CNc2cc(C(F)(F)F)ccc2C)c(C)s1
InChIInChI=1S/C15H16F3NS/c1-9-4-5-13(15(16,17)18)7-14(9)19-8-12-6-10(2)20-11(12)3/h4-7,19H,8H2,1-3H3
InChIKeyAVUXJHBHWHBPBS-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline (CID 66480735) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline is Cc1cc(CNc2cc(C(F)(F)F)ccc2C)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is AVUXJHBHWHBPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-9-4-5-13(15(16,17)18)7-14(9)19-8-12-6-10(2)20-11(12)3/h4-7,19H,8H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 299.36 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66480735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).