(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine

C13H15NOS — CID 65104269

IUPAC(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
SMILESCOc1ccccc1C(N)c1csc(C)c1
InChIInChI=1S/C13H15NOS/c1-9-7-10(8-16-9)13(14)11-5-3-4-6-12(11)15-2/h3-8,13H,14H2,1-2H3
InChIKeyHXHDPHGHDSIRDU-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.11
Rot. Bonds3

About (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine

(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine (PubChem CID 65104269) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
PubChem CID65104269
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
SMILESCOc1ccccc1C(N)c1csc(C)c1
InChIInChI=1S/C13H15NOS/c1-9-7-10(8-16-9)13(14)11-5-3-4-6-12(11)15-2/h3-8,13H,14H2,1-2H3
InChIKeyHXHDPHGHDSIRDU-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
[(2-methoxy-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313190
(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 79685763
(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 106857827
(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141567
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 65105067
[4-(aminomethyl)phenyl]-(2-methoxyphenyl)methanamine
CID 116937090
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine (CID 65104269) is (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine is COc1ccccc1C(N)c1csc(C)c1.
What is the InChIKey of (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine?
The InChIKey is HXHDPHGHDSIRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-7-10(8-16-9)13(14)11-5-3-4-6-12(11)15-2/h3-8,13H,14H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine?
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 65104269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).