N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine

C21H21F2NS — CID 20692009

IUPACN-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine
SMILESCc1ccc(-c2sc(N(C)Cc3c(F)cccc3F)c(C)c2C)cc1
InChIInChI=1S/C21H21F2NS/c1-13-8-10-16(11-9-13)20-14(2)15(3)21(25-20)24(4)12-17-18(22)6-5-7-19(17)23/h5-11H,12H2,1-4H3
InChIKeyFGARTGDZYDRZGR-UHFFFAOYSA-N
MW357.47 g/mol
LogP6.25
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine

N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine (PubChem CID 20692009) has the molecular formula C21H21F2NS and a molecular weight of 357.47 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine
PubChem CID20692009
Molecular FormulaC21H21F2NS
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine
SMILESCc1ccc(-c2sc(N(C)Cc3c(F)cccc3F)c(C)c2C)cc1
InChIInChI=1S/C21H21F2NS/c1-13-8-10-16(11-9-13)20-14(2)15(3)21(25-20)24(4)12-17-18(22)6-5-7-19(17)23/h5-11H,12H2,1-4H3
InChIKeyFGARTGDZYDRZGR-UHFFFAOYSA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine (CID 20692009) is N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine is Cc1ccc(-c2sc(N(C)Cc3c(F)cccc3F)c(C)c2C)cc1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine?
The InChIKey is FGARTGDZYDRZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NS/c1-13-8-10-16(11-9-13)20-14(2)15(3)21(25-20)24(4)12-17-18(22)6-5-7-19(17)23/h5-11H,12H2,1-4H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine?
N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine has a molecular weight of 357.47 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine is sourced from PubChem (CID 20692009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).