(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine

C14H16BrNS — CID 107981821

IUPAC(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cccc(C)c2Br)s1
InChIInChI=1S/C14H16BrNS/c1-3-10-7-8-12(17-10)14(16)11-6-4-5-9(2)13(11)15/h4-8,14H,3,16H2,1-2H3
InChIKeyXOCCXODZHVNUID-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.43
Rot. Bonds3

About (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine

(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 107981821) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID107981821
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cccc(C)c2Br)s1
InChIInChI=1S/C14H16BrNS/c1-3-10-7-8-12(17-10)14(16)11-6-4-5-9(2)13(11)15/h4-8,14H,3,16H2,1-2H3
InChIKeyXOCCXODZHVNUID-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198307
(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464349
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 114024187
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine (CID 107981821) is (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2cccc(C)c2Br)s1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is XOCCXODZHVNUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-3-10-7-8-12(17-10)14(16)11-6-4-5-9(2)13(11)15/h4-8,14H,3,16H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 310.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 107981821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).