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

C20H21NO2S — CID 3162096

IUPAC1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2cccs2)c1OCc1ccccc1
InChIInChI=1S/C20H21NO2S/c1-22-19-11-5-9-17(13-21-14-18-10-6-12-24-18)20(19)23-15-16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3
InChIKeyXNJSKRHJMKKXPJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.63
Rot. Bonds8

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

1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 3162096) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID3162096
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2cccs2)c1OCc1ccccc1
InChIInChI=1S/C20H21NO2S/c1-22-19-11-5-9-17(13-21-14-18-10-6-12-24-18)20(19)23-15-16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3
InChIKeyXNJSKRHJMKKXPJ-UHFFFAOYSA-N
XLogP4.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716137
1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849867
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 3162096) is 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is COc1cccc(CNCc2cccs2)c1OCc1ccccc1.
What is the InChIKey of 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is XNJSKRHJMKKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-22-19-11-5-9-17(13-21-14-18-10-6-12-24-18)20(19)23-15-16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3.
What are the key properties of 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 339.46 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 3162096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).