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

C13H15FN2S — CID 54980798

IUPAC4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
SMILESCC(c1cccs1)N(C)c1ccc(F)cc1N
InChIInChI=1S/C13H15FN2S/c1-9(13-4-3-7-17-13)16(2)12-6-5-10(14)8-11(12)15/h3-9H,15H2,1-2H3
InChIKeyNFLFTOYOOHKVOP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.67
Rot. Bonds3

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

4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine (PubChem CID 54980798) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
PubChem CID54980798
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
SMILESCC(c1cccs1)N(C)c1ccc(F)cc1N
InChIInChI=1S/C13H15FN2S/c1-9(13-4-3-7-17-13)16(2)12-6-5-10(14)8-11(12)15/h3-9H,15H2,1-2H3
InChIKeyNFLFTOYOOHKVOP-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 107081657
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194
1-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62980389
1-N-(4-bromothiophen-2-yl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124770
(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 78940338
2-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 62308654
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969
5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
CID 62516387
3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 104506605
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
2-chloro-N-methyl-4-(methylaminomethyl)-N-(1-thiophen-2-ylethyl)aniline
CID 81149666

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine (CID 54980798) is 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine is CC(c1cccs1)N(C)c1ccc(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
The InChIKey is NFLFTOYOOHKVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(13-4-3-7-17-13)16(2)12-6-5-10(14)8-11(12)15/h3-9H,15H2,1-2H3.
What are the key properties of 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 54980798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).