N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine

C21H21NO2 — CID 877867

IUPACN-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H21NO2/c1-23-21-13-6-5-9-18(21)16-22-15-17-8-7-12-20(14-17)24-19-10-3-2-4-11-19/h2-14,22H,15-16H2,1H3
InChIKeyFEESTXNBKXTNFS-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.78
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine

N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine (PubChem CID 877867) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine
PubChem CID877867
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H21NO2/c1-23-21-13-6-5-9-18(21)16-22-15-17-8-7-12-20(14-17)24-19-10-3-2-4-11-19/h2-14,22H,15-16H2,1H3
InChIKeyFEESTXNBKXTNFS-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 N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine (CID 877867) is N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine is COc1ccccc1CNCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine?
The InChIKey is FEESTXNBKXTNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-21-13-6-5-9-18(21)16-22-15-17-8-7-12-20(14-17)24-19-10-3-2-4-11-19/h2-14,22H,15-16H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine?
N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)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 N-[(2-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)methanamine is sourced from PubChem (CID 877867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).