1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C15H24BrNOS — CID 105052760

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H24BrNOS/c1-9-7-11(19-13(9)16)12(17-6)10-8-14(2,3)18-15(10,4)5/h7,10,12,17H,8H2,1-6H3
InChIKeyOREUIPSNSUVSCZ-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.67
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105052760) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105052760
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H24BrNOS/c1-9-7-11(19-13(9)16)12(17-6)10-8-14(2,3)18-15(10,4)5/h7,10,12,17H,8H2,1-6H3
InChIKeyOREUIPSNSUVSCZ-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105052913
N-[(4,5-dimethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052718
1-(4-bromophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622787
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79991852
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 79992393
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
N-methyl-1-(6-methyl-3-pyridinyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189233
[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341612
N-methyl-1-(4-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053060

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105052760) is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CNC(c1cc(C)c(Br)s1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is OREUIPSNSUVSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-9-7-11(19-13(9)16)12(17-6)10-8-14(2,3)18-15(10,4)5/h7,10,12,17H,8H2,1-6H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 346.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105052760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).