(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine

C14H17NOS — CID 43626117

IUPAC(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1sccc1C
InChIInChI=1S/C14H17NOS/c1-9-4-5-12(16-3)11(8-9)13(15)14-10(2)6-7-17-14/h4-8,13H,15H2,1-3H3
InChIKeyMQPSZAJHPROFBA-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.42
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine

(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 43626117) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID43626117
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1sccc1C
InChIInChI=1S/C14H17NOS/c1-9-4-5-12(16-3)11(8-9)13(15)14-10(2)6-7-17-14/h4-8,13H,15H2,1-3H3
InChIKeyMQPSZAJHPROFBA-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene
CID 63443253
[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303595
(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
CID 102763414
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-3-methylthiophene
CID 63435889
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine (CID 43626117) is (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine is COc1ccc(C)cc1C(N)c1sccc1C.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is MQPSZAJHPROFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9-4-5-12(16-3)11(8-9)13(15)14-10(2)6-7-17-14/h4-8,13H,15H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine?
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43626117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).