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

C19H20ClNOS — CID 2960752

IUPAC1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2ccc(CNCc3cccs3)cc2)cc1
InChIInChI=1S/C19H19NOS.ClH/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;1H
InChIKeyVHASHUFOSXMJPQ-UHFFFAOYSA-N
MW345.90 g/mol
LogP5.04
Rot. Bonds7

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

1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 2960752) has the molecular formula C19H20ClNOS and a molecular weight of 345.90 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID2960752
Molecular FormulaC19H20ClNOS
Molecular Weight345.90 g/mol
Exact Mass345.10
IUPAC Name1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2ccc(CNCc3cccs3)cc2)cc1
InChIInChI=1S/C19H19NOS.ClH/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;1H
InChIKeyVHASHUFOSXMJPQ-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.90
LogP ≤ 55.04
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;hydrochloride?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 2960752) is 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1ccc(COc2ccc(CNCc3cccs3)cc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is VHASHUFOSXMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS.ClH/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;1H.
What are the key properties of 1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 5.04, 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;hydrochloride is sourced from PubChem (CID 2960752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).