N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline

C23H25NO — CID 11221237

IUPACN,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESCCN(CC)c1cc(/C=C/c2ccc3ccccc3c2)ccc1OC
InChIInChI=1S/C23H25NO/c1-4-24(5-2)22-17-19(13-15-23(22)25-3)11-10-18-12-14-20-8-6-7-9-21(20)16-18/h6-17H,4-5H2,1-3H3/b11-10+
InChIKeyDQERTKIZFFLPRL-ZHACJKMWSA-N
MW331.46 g/mol
LogP5.86
Rot. Bonds6

About N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline

N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline (PubChem CID 11221237) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
PubChem CID11221237
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESCCN(CC)c1cc(/C=C/c2ccc3ccccc3c2)ccc1OC
InChIInChI=1S/C23H25NO/c1-4-24(5-2)22-17-19(13-15-23(22)25-3)11-10-18-12-14-20-8-6-7-9-21(20)16-18/h6-17H,4-5H2,1-3H3/b11-10+
InChIKeyDQERTKIZFFLPRL-ZHACJKMWSA-N
XLogP5.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
The IUPAC name of N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline (CID 11221237) is N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline.
What is the SMILES notation for N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
The canonical SMILES for N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline is CCN(CC)c1cc(/C=C/c2ccc3ccccc3c2)ccc1OC.
What is the InChIKey of N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
The InChIKey is DQERTKIZFFLPRL-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H25NO/c1-4-24(5-2)22-17-19(13-15-23(22)25-3)11-10-18-12-14-20-8-6-7-9-21(20)16-18/h6-17H,4-5H2,1-3H3/b11-10+.
What are the key properties of N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline has a molecular weight of 331.46 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline is sourced from PubChem (CID 11221237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).