2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

C24H29N3O — CID 23990548

IUPAC2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)(CN)CN(Cc1ccncc1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H29N3O/c1-24(2,18-25)19-27(16-20-11-13-26-14-12-20)17-21-7-6-10-23(15-21)28-22-8-4-3-5-9-22/h3-15H,16-19,25H2,1-2H3
InChIKeyIWBZQPAIRBNODM-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.86
Rot. Bonds9

About 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 23990548) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID23990548
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)(CN)CN(Cc1ccncc1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H29N3O/c1-24(2,18-25)19-27(16-20-11-13-26-14-12-20)17-21-7-6-10-23(15-21)28-22-8-4-3-5-9-22/h3-15H,16-19,25H2,1-2H3
InChIKeyIWBZQPAIRBNODM-UHFFFAOYSA-N
XLogP4.86
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 23990548) is 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is CC(C)(CN)CN(Cc1ccncc1)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is IWBZQPAIRBNODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-24(2,18-25)19-27(16-20-11-13-26-14-12-20)17-21-7-6-10-23(15-21)28-22-8-4-3-5-9-22/h3-15H,16-19,25H2,1-2H3.
What are the key properties of 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 375.52 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 23990548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).