1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C13H15NOS — CID 2115238

IUPAC1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CNCc1cccs1
InChIInChI=1S/C13H15NOS/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3
InChIKeyBNUOVFLGFYELTB-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 2115238) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID2115238
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CNCc1cccs1
InChIInChI=1S/C13H15NOS/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3
InChIKeyBNUOVFLGFYELTB-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 2115238) is 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is COc1ccccc1CNCc1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BNUOVFLGFYELTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 2115238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).