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

C14H16F2N2S — CID 79476283

IUPAC2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCN(CCc1cccs1)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H16F2N2S/c1-18(7-6-11-3-2-8-19-11)13-5-4-10(17)9-12(13)14(15)16/h2-5,8-9,14H,6-7,17H2,1H3
InChIKeySXZYVKAMVQSWEJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.95
Rot. Bonds5

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

2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine (PubChem CID 79476283) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
PubChem CID79476283
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCN(CCc1cccs1)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H16F2N2S/c1-18(7-6-11-3-2-8-19-11)13-5-4-10(17)9-12(13)14(15)16/h2-5,8-9,14H,6-7,17H2,1H3
InChIKeySXZYVKAMVQSWEJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 63773831
4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide
CID 79475551
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
4-(2-aminoethyl)-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 81166020
1-N-methyl-4-methylsulfonyl-1-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79476498
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
1-N-[(2-bromophenyl)methyl]-2-(difluoromethyl)-1-N-methylbenzene-1,4-diamine
CID 63735129
3-(difluoromethyl)-4-(thiophen-2-ylmethoxy)aniline
CID 63734131

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine (CID 79476283) is 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine is CN(CCc1cccs1)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine?
The InChIKey is SXZYVKAMVQSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-18(7-6-11-3-2-8-19-11)13-5-4-10(17)9-12(13)14(15)16/h2-5,8-9,14H,6-7,17H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine has a molecular weight of 282.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 79476283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).