(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine

C12H10BrCl2NS — CID 107981848

IUPAC(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESCc1cccc(C(N)c2cc(Cl)sc2Cl)c1Br
InChIInChI=1S/C12H10BrCl2NS/c1-6-3-2-4-7(10(6)13)11(16)8-5-9(14)17-12(8)15/h2-5,11H,16H2,1H3
InChIKeyBCHRMWYYJPRUBG-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.17
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine

(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 107981848) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID107981848
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESCc1cccc(C(N)c2cc(Cl)sc2Cl)c1Br
InChIInChI=1S/C12H10BrCl2NS/c1-6-3-2-4-7(10(6)13)11(16)8-5-9(14)17-12(8)15/h2-5,11H,16H2,1H3
InChIKeyBCHRMWYYJPRUBG-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]hydrazine
CID 107970076
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107982155
(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 107981821
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine (CID 107981848) is (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine is Cc1cccc(C(N)c2cc(Cl)sc2Cl)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is BCHRMWYYJPRUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-6-3-2-4-7(10(6)13)11(16)8-5-9(14)17-12(8)15/h2-5,11H,16H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 351.10 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 107981848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).