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

C15H18F2N2S — CID 63734265

IUPAC2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine
SMILESCCCC(Nc1ccc(N)cc1C(F)F)c1cccs1
InChIInChI=1S/C15H18F2N2S/c1-2-4-13(14-5-3-8-20-14)19-12-7-6-10(18)9-11(12)15(16)17/h3,5-9,13,15,19H,2,4,18H2,1H3
InChIKeyYWVNZYHTFWKQJL-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.22
Rot. Bonds6

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

2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine (PubChem CID 63734265) has the molecular formula C15H18F2N2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine
PubChem CID63734265
Molecular FormulaC15H18F2N2S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine
SMILESCCCC(Nc1ccc(N)cc1C(F)F)c1cccs1
InChIInChI=1S/C15H18F2N2S/c1-2-4-13(14-5-3-8-20-14)19-12-7-6-10(18)9-11(12)15(16)17/h3,5-9,13,15,19H,2,4,18H2,1H3
InChIKeyYWVNZYHTFWKQJL-UHFFFAOYSA-N
XLogP5.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.22
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-ylpropyl)benzene-1,4-diamine
CID 63734094
5-chloro-6-fluoro-1-N-(1-thiophen-2-ylbutyl)benzene-1,2,4-triamine
CID 103552855
4-fluoro-2-nitro-N-(1-thiophen-2-ylbutyl)aniline
CID 114449231
4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
CID 63357349
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
2-[4-amino-2-(difluoromethyl)anilino]propane-1,3-diol
CID 65310224
2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62498546

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine (CID 63734265) is 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine is CCCC(Nc1ccc(N)cc1C(F)F)c1cccs1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine?
The InChIKey is YWVNZYHTFWKQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S/c1-2-4-13(14-5-3-8-20-14)19-12-7-6-10(18)9-11(12)15(16)17/h3,5-9,13,15,19H,2,4,18H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine has a molecular weight of 296.39 g/mol, XLogP of 5.22, 6 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-ylbutyl)benzene-1,4-diamine is sourced from PubChem (CID 63734265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).