5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine

C27H27NO — CID 90974370

IUPAC5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine
SMILESCCCOc1ccc(N(c2ccccc2)c2ccccc2)c2cccc(CC)c12
InChIInChI=1S/C27H27NO/c1-3-20-29-26-19-18-25(24-17-11-12-21(4-2)27(24)26)28(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-19H,3-4,20H2,1-2H3
InChIKeyKSOGDTJTBPBWHC-UHFFFAOYSA-N
MW381.52 g/mol
LogP7.66
Rot. Bonds7

About 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine

5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine (PubChem CID 90974370) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine.

Molecular Properties

Compound Name5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine
PubChem CID90974370
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine
SMILESCCCOc1ccc(N(c2ccccc2)c2ccccc2)c2cccc(CC)c12
InChIInChI=1S/C27H27NO/c1-3-20-29-26-19-18-25(24-17-11-12-21(4-2)27(24)26)28(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-19H,3-4,20H2,1-2H3
InChIKeyKSOGDTJTBPBWHC-UHFFFAOYSA-N
XLogP7.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine?
The IUPAC name of 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine (CID 90974370) is 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine.
What is the SMILES notation for 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine?
The canonical SMILES for 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine is CCCOc1ccc(N(c2ccccc2)c2ccccc2)c2cccc(CC)c12.
What is the InChIKey of 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine?
The InChIKey is KSOGDTJTBPBWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-3-20-29-26-19-18-25(24-17-11-12-21(4-2)27(24)26)28(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-19H,3-4,20H2,1-2H3.
What are the key properties of 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine?
5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine has a molecular weight of 381.52 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-diphenyl-4-propoxynaphthalen-1-amine is sourced from PubChem (CID 90974370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).