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

C15H19FN2S — CID 103590138

IUPAC4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCc1cc(NC(c2cccs2)C(C)C)c(N)cc1F
InChIInChI=1S/C15H19FN2S/c1-9(2)15(14-5-4-6-19-14)18-13-7-10(3)11(16)8-12(13)17/h4-9,15,18H,17H2,1-3H3
InChIKeyQWRFMISUGUSSOE-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.59
Rot. Bonds4

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

4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine (PubChem CID 103590138) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
PubChem CID103590138
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCc1cc(NC(c2cccs2)C(C)C)c(N)cc1F
InChIInChI=1S/C15H19FN2S/c1-9(2)15(14-5-4-6-19-14)18-13-7-10(3)11(16)8-12(13)17/h4-9,15,18H,17H2,1-3H3
InChIKeyQWRFMISUGUSSOE-UHFFFAOYSA-N
XLogP4.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.59
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

4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
CID 103590392
4-bromo-5-fluoro-2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 116735510
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
6-amino-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425366
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140
2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
CID 43790172
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43761105

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine (CID 103590138) is 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine is Cc1cc(NC(c2cccs2)C(C)C)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The InChIKey is QWRFMISUGUSSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-9(2)15(14-5-4-6-19-14)18-13-7-10(3)11(16)8-12(13)17/h4-9,15,18H,17H2,1-3H3.
What are the key properties of 4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 4.59, 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-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 103590138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).