[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine

C15H19NO3S — CID 80728963

IUPAC[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCOc1cccc(OC)c1OCc1cc(CN)sc1C
InChIInChI=1S/C15H19NO3S/c1-10-11(7-12(8-16)20-10)9-19-15-13(17-2)5-4-6-14(15)18-3/h4-7H,8-9,16H2,1-3H3
InChIKeyUYSFHVOLVAAZAV-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.11
Rot. Bonds6

About [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80728963) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80728963
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCOc1cccc(OC)c1OCc1cc(CN)sc1C
InChIInChI=1S/C15H19NO3S/c1-10-11(7-12(8-16)20-10)9-19-15-13(17-2)5-4-6-14(15)18-3/h4-7H,8-9,16H2,1-3H3
InChIKeyUYSFHVOLVAAZAV-UHFFFAOYSA-N
XLogP3.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-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

[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729570
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729482
[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729897
[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728704
[4-[(3,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80734356
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80729822
[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733492
[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62451638
[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62449636
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-5-methylthiophen-2-yl]methanamine
CID 80723273
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine (CID 80728963) is [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine is COc1cccc(OC)c1OCc1cc(CN)sc1C.
What is the InChIKey of [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is UYSFHVOLVAAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10-11(7-12(8-16)20-10)9-19-15-13(17-2)5-4-6-14(15)18-3/h4-7H,8-9,16H2,1-3H3.
What are the key properties of [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80728963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).