(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine

C15H19NO3S — CID 81127508

IUPAC(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2cc(OC)c(OC)cc2C)c1
InChIInChI=1S/C15H19NO3S/c1-9-5-12(18-3)13(19-4)7-11(9)15(16)14-6-10(17-2)8-20-14/h5-8,15H,16H2,1-4H3
InChIKeyHNYYCCURPCFKNQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.13
Rot. Bonds5

About (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine

(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine (PubChem CID 81127508) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
PubChem CID81127508
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2cc(OC)c(OC)cc2C)c1
InChIInChI=1S/C15H19NO3S/c1-9-5-12(18-3)13(19-4)7-11(9)15(16)14-6-10(17-2)8-20-14/h5-8,15H,16H2,1-4H3
InChIKeyHNYYCCURPCFKNQ-UHFFFAOYSA-N
XLogP3.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-methoxy-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105333054
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
CID 81121689
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
CID 105397471
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methanamine
CID 105048345
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626695
1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121817
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-4-methoxythiophene
CID 81129544
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine (CID 81127508) is (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine is COc1csc(C(N)c2cc(OC)c(OC)cc2C)c1.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine?
The InChIKey is HNYYCCURPCFKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-9-5-12(18-3)13(19-4)7-11(9)15(16)14-6-10(17-2)8-20-14/h5-8,15H,16H2,1-4H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine?
(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine has a molecular weight of 293.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81127508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).