2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline

C18H17NOS — CID 784018

IUPAC2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1cccs1
InChIInChI=1S/C18H17NOS/c1-20-18-10-9-15(14-6-3-2-4-7-14)12-17(18)19-13-16-8-5-11-21-16/h2-12,19H,13H2,1H3
InChIKeyCHGQWJOEFVEBHH-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.04
Rot. Bonds5

About 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline

2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 784018) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID784018
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1cccs1
InChIInChI=1S/C18H17NOS/c1-20-18-10-9-15(14-6-3-2-4-7-14)12-17(18)19-13-16-8-5-11-21-16/h2-12,19H,13H2,1H3
InChIKeyCHGQWJOEFVEBHH-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline (CID 784018) is 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline is COc1ccc(-c2ccccc2)cc1NCc1cccs1.
What is the InChIKey of 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is CHGQWJOEFVEBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-20-18-10-9-15(14-6-3-2-4-7-14)12-17(18)19-13-16-8-5-11-21-16/h2-12,19H,13H2,1H3.
What are the key properties of 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline?
2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 295.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-phenyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 784018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).