(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine

C13H15NOS — CID 81127360

IUPAC(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
SMILESCOc1ccsc1C(N)c1ccc(C)cc1
InChIInChI=1S/C13H15NOS/c1-9-3-5-10(6-4-9)12(14)13-11(15-2)7-8-16-13/h3-8,12H,14H2,1-2H3
InChIKeyOYSGPJBNKDTEML-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.11
Rot. Bonds3

About (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine

(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine (PubChem CID 81127360) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
PubChem CID81127360
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
SMILESCOc1ccsc1C(N)c1ccc(C)cc1
InChIInChI=1S/C13H15NOS/c1-9-3-5-10(6-4-9)12(14)13-11(15-2)7-8-16-13/h3-8,12H,14H2,1-2H3
InChIKeyOYSGPJBNKDTEML-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

(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
CID 115791862
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(3-methoxythiophen-2-yl)-quinolin-6-ylmethanamine
CID 105020989
(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81473921
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126581

Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine?
The IUPAC name of (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine (CID 81127360) is (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine?
The canonical SMILES for (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine is COc1ccsc1C(N)c1ccc(C)cc1.
What is the InChIKey of (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine?
The InChIKey is OYSGPJBNKDTEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-3-5-10(6-4-9)12(14)13-11(15-2)7-8-16-13/h3-8,12H,14H2,1-2H3.
What are the key properties of (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine?
(3-methoxythiophen-2-yl)-(4-methylphenyl)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 (3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 81127360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).