1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine

C21H21NO2 — CID 776996

IUPAC1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-23-19-12-10-17(11-13-19)15-22-16-18-6-5-9-21(14-18)24-20-7-3-2-4-8-20/h2-14,22H,15-16H2,1H3
InChIKeyIRZTVIUZJPYVAW-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.78
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine

1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine (PubChem CID 776996) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine
PubChem CID776996
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-23-19-12-10-17(11-13-19)15-22-16-18-6-5-9-21(14-18)24-20-7-3-2-4-8-20/h2-14,22H,15-16H2,1H3
InChIKeyIRZTVIUZJPYVAW-UHFFFAOYSA-N
XLogP4.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine (CID 776996) is 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine is COc1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine?
The InChIKey is IRZTVIUZJPYVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-19-12-10-17(11-13-19)15-22-16-18-6-5-9-21(14-18)24-20-7-3-2-4-8-20/h2-14,22H,15-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine?
1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine has a molecular weight of 319.40 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine is sourced from PubChem (CID 776996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).