1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C19H20ClNOS — CID 2959648

IUPAC1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCc3cccs3)c2)cc1
InChIInChI=1S/C19H19NOS.ClH/c1-2-6-16(7-3-1)15-21-18-9-4-8-17(12-18)13-20-14-19-10-5-11-22-19;/h1-12,20H,13-15H2;1H
InChIKeyAFADVXYFPZRUGV-UHFFFAOYSA-N
MW345.90 g/mol
LogP5.04
Rot. Bonds7

About 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 2959648) has the molecular formula C19H20ClNOS and a molecular weight of 345.90 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID2959648
Molecular FormulaC19H20ClNOS
Molecular Weight345.90 g/mol
Exact Mass345.10
IUPAC Name1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCc3cccs3)c2)cc1
InChIInChI=1S/C19H19NOS.ClH/c1-2-6-16(7-3-1)15-21-18-9-4-8-17(12-18)13-20-14-19-10-5-11-22-19;/h1-12,20H,13-15H2;1H
InChIKeyAFADVXYFPZRUGV-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-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 2959648) is 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1ccc(COc2cccc(CNCc3cccs3)c2)cc1.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is AFADVXYFPZRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS.ClH/c1-2-6-16(7-3-1)15-21-18-9-4-8-17(12-18)13-20-14-19-10-5-11-22-19;/h1-12,20H,13-15H2;1H.
What are the key properties of 1-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-(3-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-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 2959648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).