(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine

C13H15NOS — CID 93054120

IUPAC(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
SMILESCOc1ccc([C@@H](N)c2cccs2)c(C)c1
InChIInChI=1S/C13H15NOS/c1-9-8-10(15-2)5-6-11(9)13(14)12-4-3-7-16-12/h3-8,13H,14H2,1-2H3/t13-/m1/s1
InChIKeyIHGPPTHYKRKHRJ-CYBMUJFWSA-N
MW233.34 g/mol
LogP3.11
Rot. Bonds3

About (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine

(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine (PubChem CID 93054120) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
PubChem CID93054120
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
SMILESCOc1ccc([C@@H](N)c2cccs2)c(C)c1
InChIInChI=1S/C13H15NOS/c1-9-8-10(15-2)5-6-11(9)13(14)12-4-3-7-16-12/h3-8,13H,14H2,1-2H3/t13-/m1/s1
InChIKeyIHGPPTHYKRKHRJ-CYBMUJFWSA-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-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 43464453
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171282621
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282622
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
N-(dithiophen-2-ylmethyl)-4-methoxy-2-methylaniline
CID 62871322

Frequently Asked Questions

What is the IUPAC name of (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine (CID 93054120) is (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine is COc1ccc([C@@H](N)c2cccs2)c(C)c1.
What is the InChIKey of (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine?
The InChIKey is IHGPPTHYKRKHRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-8-10(15-2)5-6-11(9)13(14)12-4-3-7-16-12/h3-8,13H,14H2,1-2H3/t13-/m1/s1.
What are the key properties of (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine?
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine 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 (R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 93054120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).