(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine

C15H19NO2S — CID 105019103

IUPAC(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCOc1csc(C(N)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C15H19NO2S/c1-10(2)18-12-6-4-5-11(7-12)15(16)14-8-13(17-3)9-19-14/h4-10,15H,16H2,1-3H3
InChIKeyQELLIHNYXGLHOD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.59
Rot. Bonds5

About (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine

(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105019103) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105019103
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCOc1csc(C(N)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C15H19NO2S/c1-10(2)18-12-6-4-5-11(7-12)15(16)14-8-13(17-3)9-19-14/h4-10,15H,16H2,1-3H3
InChIKeyQELLIHNYXGLHOD-UHFFFAOYSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
CID 81123738
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
CID 81121689
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
(3-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 115824055
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81121687
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine (CID 105019103) is (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine is COc1csc(C(N)c2cccc(OC(C)C)c2)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is QELLIHNYXGLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10(2)18-12-6-4-5-11(7-12)15(16)14-8-13(17-3)9-19-14/h4-10,15H,16H2,1-3H3.
What are the key properties of (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105019103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).