1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine

C11H15BrClNOS — CID 102828280

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Br)c(Cl)s1)C1COC(C)C1
InChIInChI=1S/C11H15BrClNOS/c1-6-3-7(5-15-6)10(14-2)9-4-8(12)11(13)16-9/h4,6-7,10,14H,3,5H2,1-2H3
InChIKeyAESSRMWJFGOYRF-UHFFFAOYSA-N
MW324.67 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (PubChem CID 102828280) has the molecular formula C11H15BrClNOS and a molecular weight of 324.67 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
PubChem CID102828280
Molecular FormulaC11H15BrClNOS
Molecular Weight324.67 g/mol
Exact Mass322.97
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Br)c(Cl)s1)C1COC(C)C1
InChIInChI=1S/C11H15BrClNOS/c1-6-3-7(5-15-6)10(14-2)9-4-8(12)11(13)16-9/h4,6-7,10,14H,3,5H2,1-2H3
InChIKeyAESSRMWJFGOYRF-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.67
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 102828405
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 114825004
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-bromo-5-chlorothiophen-2-yl)-N-methylmethanamine
CID 102828328
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825292
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 102828326
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825030
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825347
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114824998
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (CID 102828280) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is CNC(c1cc(Br)c(Cl)s1)C1COC(C)C1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The InChIKey is AESSRMWJFGOYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNOS/c1-6-3-7(5-15-6)10(14-2)9-4-8(12)11(13)16-9/h4,6-7,10,14H,3,5H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine has a molecular weight of 324.67 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 102828280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).