N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

C22H23ClN2O2 — CID 4718393

IUPACN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-2-26-22-13-19(15-25-14-17-9-11-24-12-10-17)5-8-21(22)27-16-18-3-6-20(23)7-4-18/h3-13,25H,2,14-16H2,1H3
InChIKeyRAMFJRFKSXBKMY-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.00
Rot. Bonds9

About N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 4718393) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID4718393
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-2-26-22-13-19(15-25-14-17-9-11-24-12-10-17)5-8-21(22)27-16-18-3-6-20(23)7-4-18/h3-13,25H,2,14-16H2,1H3
InChIKeyRAMFJRFKSXBKMY-UHFFFAOYSA-N
XLogP5.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (CID 4718393) is N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is CCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is RAMFJRFKSXBKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-2-26-22-13-19(15-25-14-17-9-11-24-12-10-17)5-8-21(22)27-16-18-3-6-20(23)7-4-18/h3-13,25H,2,14-16H2,1H3.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 382.89 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 4718393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).