(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine

C13H14BrNS — CID 102840617

IUPAC(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1cccc(Br)c1C
InChIInChI=1S/C13H14BrNS/c1-8-10(4-3-5-12(8)14)13(15)11-6-7-16-9(11)2/h3-7,13H,15H2,1-2H3
InChIKeyYMBRMYGTYJSVJQ-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.18
Rot. Bonds2

About (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine

(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102840617) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102840617
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1cccc(Br)c1C
InChIInChI=1S/C13H14BrNS/c1-8-10(4-3-5-12(8)14)13(15)11-6-7-16-9(11)2/h3-7,13H,15H2,1-2H3
InChIKeyYMBRMYGTYJSVJQ-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102841186
(3-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827156
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102834092
[(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322462
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
(3-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860529
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
(3-bromo-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033406

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine (CID 102840617) is (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine is Cc1sccc1C(N)c1cccc(Br)c1C.
What is the InChIKey of (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is YMBRMYGTYJSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-8-10(4-3-5-12(8)14)13(15)11-6-7-16-9(11)2/h3-7,13H,15H2,1-2H3.
What are the key properties of (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 296.23 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102840617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).