1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C20H22ClNO2S — CID 2964134

IUPAC1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2cccs2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C20H21NO2S.ClH/c1-22-20-12-17(13-21-14-18-8-5-11-24-18)9-10-19(20)23-15-16-6-3-2-4-7-16;/h2-12,21H,13-15H2,1H3;1H
InChIKeyOZLPYGWPFDDXII-UHFFFAOYSA-N
MW375.92 g/mol
LogP5.05
Rot. Bonds8

About 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 2964134) has the molecular formula C20H22ClNO2S and a molecular weight of 375.92 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID2964134
Molecular FormulaC20H22ClNO2S
Molecular Weight375.92 g/mol
Exact Mass375.11
IUPAC Name1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2cccs2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C20H21NO2S.ClH/c1-22-20-12-17(13-21-14-18-8-5-11-24-18)9-10-19(20)23-15-16-6-3-2-4-7-16;/h2-12,21H,13-15H2,1H3;1H
InChIKeyOZLPYGWPFDDXII-UHFFFAOYSA-N
XLogP5.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 2964134) is 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is COc1cc(CNCc2cccs2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is OZLPYGWPFDDXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S.ClH/c1-22-20-12-17(13-21-14-18-8-5-11-24-18)9-10-19(20)23-15-16-6-3-2-4-7-16;/h2-12,21H,13-15H2,1H3;1H.
What are the key properties of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 2964134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).