2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine

C11H10BrFN2S — CID 115124117

IUPAC2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Br)cs1)c1cc(F)ccc1N
InChIInChI=1S/C11H10BrFN2S/c1-15(11-4-7(12)6-16-11)10-5-8(13)2-3-9(10)14/h2-6H,14H2,1H3
InChIKeyDXSYLSUNDDDWIR-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.00
Rot. Bonds2

About 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine

2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine (PubChem CID 115124117) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine
PubChem CID115124117
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Br)cs1)c1cc(F)ccc1N
InChIInChI=1S/C11H10BrFN2S/c1-15(11-4-7(12)6-16-11)10-5-8(13)2-3-9(10)14/h2-6H,14H2,1H3
InChIKeyDXSYLSUNDDDWIR-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-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

1-N-(4-bromothiophen-2-yl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124770
3-N-(4-bromothiophen-2-yl)-3-N-methylbenzene-1,3-diamine
CID 117040915
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 112656941
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
N-(2-amino-5-fluorophenyl)-N-dimethylboronamidic acid
CID 158241430
4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine
CID 62378498
4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
CID 115124095
4-bromo-N-ethyl-N-methylthiophen-2-amine
CID 115259321
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluoroaniline
CID 63189170
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine (CID 115124117) is 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine is CN(c1cc(Br)cs1)c1cc(F)ccc1N.
What is the InChIKey of 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine?
The InChIKey is DXSYLSUNDDDWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-15(11-4-7(12)6-16-11)10-5-8(13)2-3-9(10)14/h2-6H,14H2,1H3.
What are the key properties of 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine?
2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine has a molecular weight of 301.18 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromothiophen-2-yl)-4-fluoro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).