(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine

C12H10BrCl2NS — CID 65279390

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H10BrCl2NS/c1-6-2-10(13)12(17-6)11(16)7-3-8(14)5-9(15)4-7/h2-5,11H,16H2,1H3
InChIKeyNTFXWSBNTZBISG-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.17
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine (PubChem CID 65279390) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
PubChem CID65279390
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H10BrCl2NS/c1-6-2-10(13)12(17-6)11(16)7-3-8(14)5-9(15)4-7/h2-5,11H,16H2,1H3
InChIKeyNTFXWSBNTZBISG-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

(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
CID 79693206
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
3-bromo-2-[chloro-(4-chlorophenyl)methyl]-5-methylthiophene
CID 65278975
(4-bromo-3-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81290487
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine (CID 65279390) is (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine is Cc1cc(Br)c(C(N)c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine?
The InChIKey is NTFXWSBNTZBISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-6-2-10(13)12(17-6)11(16)7-3-8(14)5-9(15)4-7/h2-5,11H,16H2,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)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 (3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine is sourced from PubChem (CID 65279390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).