N-methyl-1-(4-thiophen-2-ylphenyl)methanamine

C12H13NS — CID 7127781

IUPACN-methyl-1-(4-thiophen-2-ylphenyl)methanamine
SMILESCNCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKeyDRDAOZOONYPMPX-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.13
Rot. Bonds3

About N-methyl-1-(4-thiophen-2-ylphenyl)methanamine

N-methyl-1-(4-thiophen-2-ylphenyl)methanamine (PubChem CID 7127781) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methyl-1-(4-thiophen-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-thiophen-2-ylphenyl)methanamine
PubChem CID7127781
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC NameN-methyl-1-(4-thiophen-2-ylphenyl)methanamine
SMILESCNCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKeyDRDAOZOONYPMPX-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-thiophen-2-ylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-thiophen-2-ylphenyl)methanamine (CID 7127781) is N-methyl-1-(4-thiophen-2-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-thiophen-2-ylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-thiophen-2-ylphenyl)methanamine is CNCc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-methyl-1-(4-thiophen-2-ylphenyl)methanamine?
The InChIKey is DRDAOZOONYPMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3.
What are the key properties of N-methyl-1-(4-thiophen-2-ylphenyl)methanamine?
N-methyl-1-(4-thiophen-2-ylphenyl)methanamine has a molecular weight of 203.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-thiophen-2-ylphenyl)methanamine is sourced from PubChem (CID 7127781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).