1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

C13H12BrClFNS — CID 102827194

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESCc1sc(C(N)Cc2c(F)cccc2Cl)cc1Br
InChIInChI=1S/C13H12BrClFNS/c1-7-9(14)6-13(18-7)12(17)5-8-10(15)3-2-4-11(8)16/h2-4,6,12H,5,17H2,1H3
InChIKeyQDDOEBDVQGKBSZ-UHFFFAOYSA-N
MW348.67 g/mol
LogP4.85
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 102827194) has the molecular formula C13H12BrClFNS and a molecular weight of 348.67 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID102827194
Molecular FormulaC13H12BrClFNS
Molecular Weight348.67 g/mol
Exact Mass346.95
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESCc1sc(C(N)Cc2c(F)cccc2Cl)cc1Br
InChIInChI=1S/C13H12BrClFNS/c1-7-9(14)6-13(18-7)12(17)5-8-10(15)3-2-4-11(8)16/h2-4,6,12H,5,17H2,1H3
InChIKeyQDDOEBDVQGKBSZ-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-methylthiophene
CID 63435833
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
3-bromo-5-[1-bromo-2-(2,6-difluorophenyl)ethyl]-2-chlorothiophene
CID 102836863
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 102827194) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is Cc1sc(C(N)Cc2c(F)cccc2Cl)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is QDDOEBDVQGKBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNS/c1-7-9(14)6-13(18-7)12(17)5-8-10(15)3-2-4-11(8)16/h2-4,6,12H,5,17H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 348.67 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 102827194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).