(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine

C14H17NO2S — CID 102842057

IUPAC(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccsc2C)c1
InChIInChI=1S/C14H17NO2S/c1-9-11(6-7-18-9)14(15)12-8-10(16-2)4-5-13(12)17-3/h4-8,14H,15H2,1-3H3
InChIKeyAJAJJBILFLZXQO-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.12
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine

(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102842057) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102842057
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccsc2C)c1
InChIInChI=1S/C14H17NO2S/c1-9-11(6-7-18-9)14(15)12-8-10(16-2)4-5-13(12)17-3/h4-8,14H,15H2,1-3H3
InChIKeyAJAJJBILFLZXQO-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 102840906
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113223365
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
(4-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197230

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine (CID 102842057) is (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine is COc1ccc(OC)c(C(N)c2ccsc2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is AJAJJBILFLZXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-11(6-7-18-9)14(15)12-8-10(16-2)4-5-13(12)17-3/h4-8,14H,15H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 263.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102842057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).