4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine

C12H10BrClFNS — CID 177164955

IUPAC4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine
SMILESCNc1c(Br)csc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H10BrClFNS/c1-16-12-9(13)6-17-11(12)5-7-4-8(15)2-3-10(7)14/h2-4,6,16H,5H2,1H3
InChIKeyUYXFMWZDTOFHDR-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.94
Rot. Bonds3

About 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine

4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine (PubChem CID 177164955) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine.

Molecular Properties

Compound Name4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine
PubChem CID177164955
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine
SMILESCNc1c(Br)csc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H10BrClFNS/c1-16-12-9(13)6-17-11(12)5-7-4-8(15)2-3-10(7)14/h2-4,6,16H,5H2,1H3
InChIKeyUYXFMWZDTOFHDR-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline
CID 170702614
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550
6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline
CID 170702594
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 102623486
4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107530840
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
CID 105395903
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine?
The IUPAC name of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine (CID 177164955) is 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine.
What is the SMILES notation for 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine?
The canonical SMILES for 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine is CNc1c(Br)csc1Cc1cc(F)ccc1Cl.
What is the InChIKey of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine?
The InChIKey is UYXFMWZDTOFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c1-16-12-9(13)6-17-11(12)5-7-4-8(15)2-3-10(7)14/h2-4,6,16H,5H2,1H3.
What are the key properties of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine?
4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine has a molecular weight of 334.64 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine is sourced from PubChem (CID 177164955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).