(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine

C15H18BrNOS — CID 105035965

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C15H18BrNOS/c1-3-8-18-12-7-5-4-6-11(12)14(17)13-9-10(2)15(16)19-13/h4-7,9,14H,3,8,17H2,1-2H3
InChIKeyDGJCGKQFIJEVQJ-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.66
Rot. Bonds5

About (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine (PubChem CID 105035965) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
PubChem CID105035965
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C15H18BrNOS/c1-3-8-18-12-7-5-4-6-11(12)14(17)13-9-10(2)15(16)19-13/h4-7,9,14H,3,8,17H2,1-2H3
InChIKeyDGJCGKQFIJEVQJ-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
[(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334423
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79991416
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
[(2,5-dibromothiophen-3-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 107970581
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine (CID 105035965) is (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1cc(C)c(Br)s1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The InChIKey is DGJCGKQFIJEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-8-18-12-7-5-4-6-11(12)14(17)13-9-10(2)15(16)19-13/h4-7,9,14H,3,8,17H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine has a molecular weight of 340.29 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).