(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine

C12H19NO2S — CID 116764560

IUPAC(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCOC1(C(N)c2ccc(C)s2)CCOCC1
InChIInChI=1S/C12H19NO2S/c1-9-3-4-10(16-9)11(13)12(14-2)5-7-15-8-6-12/h3-4,11H,5-8,13H2,1-2H3
InChIKeyBOWJXVVMPNUYEX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.25
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine

(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 116764560) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine
PubChem CID116764560
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCOC1(C(N)c2ccc(C)s2)CCOCC1
InChIInChI=1S/C12H19NO2S/c1-9-3-4-10(16-9)11(13)12(14-2)5-7-15-8-6-12/h3-4,11H,5-8,13H2,1-2H3
InChIKeyBOWJXVVMPNUYEX-UHFFFAOYSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylthiophen-2-yl)-(1-morpholin-4-ylcyclopentyl)methanamine
CID 79066098
(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731435
(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
CID 116764533
cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
CID 106654606
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
CID 116753823
2,3-dihydrofuran-4-yl-(3-methoxyoxolan-3-yl)methanamine
CID 131081537
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
4-[bromo-(5-methylthiophen-2-yl)methyl]oxane
CID 62905520
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 130602082

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine (CID 116764560) is (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine is COC1(C(N)c2ccc(C)s2)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is BOWJXVVMPNUYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9-3-4-10(16-9)11(13)12(14-2)5-7-15-8-6-12/h3-4,11H,5-8,13H2,1-2H3.
What are the key properties of (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine?
(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 241.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 116764560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).