N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine

C21H22N2O — CID 42695343

IUPACN-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(COc2ccc(CNCCc3ccccn3)cc2)cc1
InChIInChI=1S/C21H22N2O/c1-2-6-19(7-3-1)17-24-21-11-9-18(10-12-21)16-22-15-13-20-8-4-5-14-23-20/h1-12,14,22H,13,15-17H2
InChIKeyIHMNOGZFQYKIBX-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.99
Rot. Bonds8

About N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine

N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 42695343) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID42695343
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(COc2ccc(CNCCc3ccccn3)cc2)cc1
InChIInChI=1S/C21H22N2O/c1-2-6-19(7-3-1)17-24-21-11-9-18(10-12-21)16-22-15-13-20-8-4-5-14-23-20/h1-12,14,22H,13,15-17H2
InChIKeyIHMNOGZFQYKIBX-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine (CID 42695343) is N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine is c1ccc(COc2ccc(CNCCc3ccccn3)cc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is IHMNOGZFQYKIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-6-19(7-3-1)17-24-21-11-9-18(10-12-21)16-22-15-13-20-8-4-5-14-23-20/h1-12,14,22H,13,15-17H2.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 318.42 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 42695343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).