1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine

C25H29N3O2 — CID 78871470

IUPAC1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
SMILESc1cc(COc2ccc(CNCc3ccc(CN4CCOCC4)cc3)cc2)ccn1
InChIInChI=1S/C25H29N3O2/c1-3-23(19-28-13-15-29-16-14-28)4-2-21(1)17-27-18-22-5-7-25(8-6-22)30-20-24-9-11-26-12-10-24/h1-12,27H,13-20H2
InChIKeyFVQXOYCUKXSHRP-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.78
Rot. Bonds9

About 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine

1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine (PubChem CID 78871470) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
PubChem CID78871470
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
SMILESc1cc(COc2ccc(CNCc3ccc(CN4CCOCC4)cc3)cc2)ccn1
InChIInChI=1S/C25H29N3O2/c1-3-23(19-28-13-15-29-16-14-28)4-2-21(1)17-27-18-22-5-7-25(8-6-22)30-20-24-9-11-26-12-10-24/h1-12,27H,13-20H2
InChIKeyFVQXOYCUKXSHRP-UHFFFAOYSA-N
XLogP3.78
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine (CID 78871470) is 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine is c1cc(COc2ccc(CNCc3ccc(CN4CCOCC4)cc3)cc2)ccn1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine?
The InChIKey is FVQXOYCUKXSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-23(19-28-13-15-29-16-14-28)4-2-21(1)17-27-18-22-5-7-25(8-6-22)30-20-24-9-11-26-12-10-24/h1-12,27H,13-20H2.
What are the key properties of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine?
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine has a molecular weight of 403.53 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 78871470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).