1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine

C25H33N — CID 176895478

IUPAC1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine
SMILESCCCCCCCCC1C=Cc2ccccc2C1(C)Nc1ccccc1
InChIInChI=1S/C25H33N/c1-3-4-5-6-7-9-15-22-20-19-21-14-12-13-18-24(21)25(22,2)26-23-16-10-8-11-17-23/h8,10-14,16-20,22,26H,3-7,9,15H2,1-2H3
InChIKeyCJRNQUDFPIHLDU-UHFFFAOYSA-N
MW347.55 g/mol
LogP7.41
Rot. Bonds9

About 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine

1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine (PubChem CID 176895478) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine
PubChem CID176895478
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine
SMILESCCCCCCCCC1C=Cc2ccccc2C1(C)Nc1ccccc1
InChIInChI=1S/C25H33N/c1-3-4-5-6-7-9-15-22-20-19-21-14-12-13-18-24(21)25(22,2)26-23-16-10-8-11-17-23/h8,10-14,16-20,22,26H,3-7,9,15H2,1-2H3
InChIKeyCJRNQUDFPIHLDU-UHFFFAOYSA-N
XLogP7.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine?
The IUPAC name of 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine (CID 176895478) is 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine.
What is the SMILES notation for 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine?
The canonical SMILES for 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine is CCCCCCCCC1C=Cc2ccccc2C1(C)Nc1ccccc1.
What is the InChIKey of 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine?
The InChIKey is CJRNQUDFPIHLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N/c1-3-4-5-6-7-9-15-22-20-19-21-14-12-13-18-24(21)25(22,2)26-23-16-10-8-11-17-23/h8,10-14,16-20,22,26H,3-7,9,15H2,1-2H3.
What are the key properties of 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine?
1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine has a molecular weight of 347.55 g/mol, XLogP of 7.41, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine is sourced from PubChem (CID 176895478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).