4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine

C14H17FN2S — CID 103590392

IUPAC4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
SMILESCc1cc(NC(C)Cc2cccs2)c(N)cc1F
InChIInChI=1S/C14H17FN2S/c1-9-6-14(13(16)8-12(9)15)17-10(2)7-11-4-3-5-18-11/h3-6,8,10,17H,7,16H2,1-2H3
InChIKeyFWVPKUHTFBJENA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.82
Rot. Bonds4

About 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine

4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine (PubChem CID 103590392) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
PubChem CID103590392
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
SMILESCc1cc(NC(C)Cc2cccs2)c(N)cc1F
InChIInChI=1S/C14H17FN2S/c1-9-6-14(13(16)8-12(9)15)17-10(2)7-11-4-3-5-18-11/h3-6,8,10,17H,7,16H2,1-2H3
InChIKeyFWVPKUHTFBJENA-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 103590138
2-chloro-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 115554957
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile
CID 55170409
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 63292576
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
1-[2-amino-4-(1-thiophen-2-ylpropan-2-ylamino)phenyl]ethanone
CID 104528838

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine (CID 103590392) is 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine is Cc1cc(NC(C)Cc2cccs2)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is FWVPKUHTFBJENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9-6-14(13(16)8-12(9)15)17-10(2)7-11-4-3-5-18-11/h3-6,8,10,17H,7,16H2,1-2H3.
What are the key properties of 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 103590392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).