1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C19H19NOS — CID 834261

IUPAC1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(COc2ccc(CNCc3cccs3)cc2)cc1
InChIInChI=1S/C19H19NOS/c1-2-5-17(6-3-1)15-21-18-10-8-16(9-11-18)13-20-14-19-7-4-12-22-19/h1-12,20H,13-15H2
InChIKeyNBJSYTGLGDBHFD-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.62
Rot. Bonds7

About 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 834261) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID834261
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(COc2ccc(CNCc3cccs3)cc2)cc1
InChIInChI=1S/C19H19NOS/c1-2-5-17(6-3-1)15-21-18-10-8-16(9-11-18)13-20-14-19-7-4-12-22-19/h1-12,20H,13-15H2
InChIKeyNBJSYTGLGDBHFD-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 834261) is 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is c1ccc(COc2ccc(CNCc3cccs3)cc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is NBJSYTGLGDBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-2-5-17(6-3-1)15-21-18-10-8-16(9-11-18)13-20-14-19-7-4-12-22-19/h1-12,20H,13-15H2.
What are the key properties of 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 309.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 834261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).