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

C14H17FN2S — CID 80526019

IUPAC4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCC(C)(CNc1ccc(F)cc1N)c1cccs1
InChIInChI=1S/C14H17FN2S/c1-14(2,13-4-3-7-18-13)9-17-12-6-5-10(15)8-11(12)16/h3-8,17H,9,16H2,1-2H3
InChIKeyPQQZJTMFLOFRFJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.86
Rot. Bonds4

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

4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine (PubChem CID 80526019) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
PubChem CID80526019
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCC(C)(CNc1ccc(F)cc1N)c1cccs1
InChIInChI=1S/C14H17FN2S/c1-14(2,13-4-3-7-18-13)9-17-12-6-5-10(15)8-11(12)16/h3-8,17H,9,16H2,1-2H3
InChIKeyPQQZJTMFLOFRFJ-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.86
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

1-N-(2-methyl-2-thiophen-2-ylpropyl)-4-nitrobenzene-1,2-diamine
CID 80526095
1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 80526342
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747925
1-N-[2-(4-bromophenyl)-2-methylpropyl]-4-fluorobenzene-1,2-diamine
CID 115124889
5-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528270
methyl 4-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoate
CID 82778099
5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525997
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565509
2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide
CID 115992879
3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 80527787
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115720190
2-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437186

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine (CID 80526019) is 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine is CC(C)(CNc1ccc(F)cc1N)c1cccs1.
What is the InChIKey of 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine?
The InChIKey is PQQZJTMFLOFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-14(2,13-4-3-7-18-13)9-17-12-6-5-10(15)8-11(12)16/h3-8,17H,9,16H2,1-2H3.
What are the key properties of 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine?
4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 80526019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).