N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine

C21H22N2O2 — CID 54757534

IUPACN-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(CON(Cc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C21H22N2O2/c1-24-21-12-10-19(11-13-21)17-25-23(15-18-7-3-2-4-8-18)16-20-9-5-6-14-22-20/h2-14H,15-17H2,1H3
InChIKeyLMNAYIXZJABBOU-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.22
Rot. Bonds8

About N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine

N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 54757534) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID54757534
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(CON(Cc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C21H22N2O2/c1-24-21-12-10-19(11-13-21)17-25-23(15-18-7-3-2-4-8-18)16-20-9-5-6-14-22-20/h2-14H,15-17H2,1H3
InChIKeyLMNAYIXZJABBOU-UHFFFAOYSA-N
XLogP4.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine (CID 54757534) is N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine is COc1ccc(CON(Cc2ccccc2)Cc2ccccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is LMNAYIXZJABBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-21-12-10-19(11-13-21)17-25-23(15-18-7-3-2-4-8-18)16-20-9-5-6-14-22-20/h2-14H,15-17H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 334.42 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 54757534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).