4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine

C18H23N3O — CID 120909570

IUPAC4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(OCc3ccncc3)cc2)CC1N
InChIInChI=1S/C18H23N3O/c1-14-10-21(12-18(14)19)11-15-2-4-17(5-3-15)22-13-16-6-8-20-9-7-16/h2-9,14,18H,10-13,19H2,1H3
InChIKeyBMOKOTHASADRJT-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.44
Rot. Bonds5

About 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine

4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 120909570) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine
PubChem CID120909570
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(OCc3ccncc3)cc2)CC1N
InChIInChI=1S/C18H23N3O/c1-14-10-21(12-18(14)19)11-15-2-4-17(5-3-15)22-13-16-6-8-20-9-7-16/h2-9,14,18H,10-13,19H2,1H3
InChIKeyBMOKOTHASADRJT-UHFFFAOYSA-N
XLogP2.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine (CID 120909570) is 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine is CC1CN(Cc2ccc(OCc3ccncc3)cc2)CC1N.
What is the InChIKey of 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is BMOKOTHASADRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-10-21(12-18(14)19)11-15-2-4-17(5-3-15)22-13-16-6-8-20-9-7-16/h2-9,14,18H,10-13,19H2,1H3.
What are the key properties of 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine?
4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 297.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120909570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).