3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C14H15F2NS — CID 43765004

IUPAC3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1cc(F)cc(F)c1)c1cccs1
InChIInChI=1S/C14H15F2NS/c1-9(2)14(13-4-3-5-18-13)17-12-7-10(15)6-11(16)8-12/h3-9,14,17H,1-2H3
InChIKeyCECXDMFKGCIHES-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.84
Rot. Bonds4

About 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 43765004) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID43765004
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1cc(F)cc(F)c1)c1cccs1
InChIInChI=1S/C14H15F2NS/c1-9(2)14(13-4-3-5-18-13)17-12-7-10(15)6-11(16)8-12/h3-9,14,17H,1-2H3
InChIKeyCECXDMFKGCIHES-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43777650
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione
CID 43766284
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 43765004) is 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CC(C)C(Nc1cc(F)cc(F)c1)c1cccs1.
What is the InChIKey of 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is CECXDMFKGCIHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-9(2)14(13-4-3-5-18-13)17-12-7-10(15)6-11(16)8-12/h3-9,14,17H,1-2H3.
What are the key properties of 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 267.34 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43765004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).