(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine

C15H19NOS — CID 83056768

IUPAC(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(C)s2)cc1C
InChIInChI=1S/C15H19NOS/c1-9-7-12(8-10(2)15(9)17-4)14(16)13-6-5-11(3)18-13/h5-8,14H,16H2,1-4H3
InChIKeyGNAKRLOXQRLMBP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.73
Rot. Bonds3

About (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine

(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 83056768) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID83056768
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(C)s2)cc1C
InChIInChI=1S/C15H19NOS/c1-9-7-12(8-10(2)15(9)17-4)14(16)13-6-5-11(3)18-13/h5-8,14H,16H2,1-4H3
InChIKeyGNAKRLOXQRLMBP-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine (CID 83056768) is (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine is COc1c(C)cc(C(N)c2ccc(C)s2)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is GNAKRLOXQRLMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-9-7-12(8-10(2)15(9)17-4)14(16)13-6-5-11(3)18-13/h5-8,14H,16H2,1-4H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine?
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 83056768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).