2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine

C14H16F2N2S — CID 63734094

IUPAC2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
SMILESCCC(Nc1ccc(N)cc1C(F)F)c1cccs1
InChIInChI=1S/C14H16F2N2S/c1-2-11(13-4-3-7-19-13)18-12-6-5-9(17)8-10(12)14(15)16/h3-8,11,14,18H,2,17H2,1H3
InChIKeyIUHBAXPTHCVSGH-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.83
Rot. Bonds5

About 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine (PubChem CID 63734094) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
PubChem CID63734094
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
SMILESCCC(Nc1ccc(N)cc1C(F)F)c1cccs1
InChIInChI=1S/C14H16F2N2S/c1-2-11(13-4-3-7-19-13)18-12-6-5-9(17)8-10(12)14(15)16/h3-8,11,14,18H,2,17H2,1H3
InChIKeyIUHBAXPTHCVSGH-UHFFFAOYSA-N
XLogP4.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine
CID 63734265
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 80739715
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107928719
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
2-bromo-3-fluoro-4-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107534858
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine (CID 63734094) is 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine is CCC(Nc1ccc(N)cc1C(F)F)c1cccs1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine?
The InChIKey is IUHBAXPTHCVSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-2-11(13-4-3-7-19-13)18-12-6-5-9(17)8-10(12)14(15)16/h3-8,11,14,18H,2,17H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine has a molecular weight of 282.36 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 63734094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).