N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine

C24H28N2O — CID 134959259

IUPACN,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine
SMILESCCN(CC)c1ccc2ccccc2c1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N2O/c1-3-25(4-2)23-14-11-19-7-5-6-8-22(19)24(23)20-9-12-21(13-10-20)26-15-17-27-18-16-26/h5-14H,3-4,15-18H2,1-2H3
InChIKeyQZNPEORHKZSWMU-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.19
Rot. Bonds5

About N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine

N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine (PubChem CID 134959259) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine
PubChem CID134959259
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine
SMILESCCN(CC)c1ccc2ccccc2c1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N2O/c1-3-25(4-2)23-14-11-19-7-5-6-8-22(19)24(23)20-9-12-21(13-10-20)26-15-17-27-18-16-26/h5-14H,3-4,15-18H2,1-2H3
InChIKeyQZNPEORHKZSWMU-UHFFFAOYSA-N
XLogP5.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine?
The IUPAC name of N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine (CID 134959259) is N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine is CCN(CC)c1ccc2ccccc2c1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine?
The InChIKey is QZNPEORHKZSWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-3-25(4-2)23-14-11-19-7-5-6-8-22(19)24(23)20-9-12-21(13-10-20)26-15-17-27-18-16-26/h5-14H,3-4,15-18H2,1-2H3.
What are the key properties of N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine?
N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine has a molecular weight of 360.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-morpholin-4-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 134959259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).