(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine

C12H12BrNS — CID 79596069

IUPAC(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cscc1Br
InChIInChI=1S/C12H12BrNS/c1-8-4-2-3-5-9(8)12(14)10-6-15-7-11(10)13/h2-7,12H,14H2,1H3
InChIKeyDWVCWBJLLYQRSN-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.87
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine

(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine (PubChem CID 79596069) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
PubChem CID79596069
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cscc1Br
InChIInChI=1S/C12H12BrNS/c1-8-4-2-3-5-9(8)12(14)10-6-15-7-11(10)13/h2-7,12H,14H2,1H3
InChIKeyDWVCWBJLLYQRSN-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
CID 105010938
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
CID 104804459
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
CID 107946337
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(2-methylphenyl)-phenylmethanamine
CID 15254157

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine (CID 79596069) is (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine?
The InChIKey is DWVCWBJLLYQRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-8-4-2-3-5-9(8)12(14)10-6-15-7-11(10)13/h2-7,12H,14H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine?
(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine has a molecular weight of 282.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 79596069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).