N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine

C24H27N3O — CID 3047483

IUPACN,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine
SMILESCCN(CC)CCN1C(c2ccccc2OC)=Nc2cccc3cccc1c23
InChIInChI=1S/C24H27N3O/c1-4-26(5-2)16-17-27-21-14-9-11-18-10-8-13-20(23(18)21)25-24(27)19-12-6-7-15-22(19)28-3/h6-15H,4-5,16-17H2,1-3H3
InChIKeyCUSFZAPIEVIFIQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.09
Rot. Bonds7

About N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine

N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine (PubChem CID 3047483) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine
PubChem CID3047483
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine
SMILESCCN(CC)CCN1C(c2ccccc2OC)=Nc2cccc3cccc1c23
InChIInChI=1S/C24H27N3O/c1-4-26(5-2)16-17-27-21-14-9-11-18-10-8-13-20(23(18)21)25-24(27)19-12-6-7-15-22(19)28-3/h6-15H,4-5,16-17H2,1-3H3
InChIKeyCUSFZAPIEVIFIQ-UHFFFAOYSA-N
XLogP5.09
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine (CID 3047483) is N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine is CCN(CC)CCN1C(c2ccccc2OC)=Nc2cccc3cccc1c23.
What is the InChIKey of N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine?
The InChIKey is CUSFZAPIEVIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-4-26(5-2)16-17-27-21-14-9-11-18-10-8-13-20(23(18)21)25-24(27)19-12-6-7-15-22(19)28-3/h6-15H,4-5,16-17H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine?
N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine has a molecular weight of 373.50 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(2-methoxyphenyl)perimidin-1-yl]ethanamine is sourced from PubChem (CID 3047483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).