(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine

C15H19NO2S — CID 81156141

IUPAC(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2sc(C)cc2C)c(OC)c1
InChIInChI=1S/C15H19NO2S/c1-9-7-10(2)19-15(9)14(16)12-6-5-11(17-3)8-13(12)18-4/h5-8,14H,16H2,1-4H3
InChIKeyWALJUNDRAJVZRO-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.43
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine

(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine (PubChem CID 81156141) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
PubChem CID81156141
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2sc(C)cc2C)c(OC)c1
InChIInChI=1S/C15H19NO2S/c1-9-7-10(2)19-15(9)14(16)12-6-5-11(17-3)8-13(12)18-4/h5-8,14H,16H2,1-4H3
InChIKeyWALJUNDRAJVZRO-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81156413
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105145174
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(2,4-dimethoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877206
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine (CID 81156141) is (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine is COc1ccc(C(N)c2sc(C)cc2C)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is WALJUNDRAJVZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-9-7-10(2)19-15(9)14(16)12-6-5-11(17-3)8-13(12)18-4/h5-8,14H,16H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine?
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 81156141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).