4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline

C21H23NO — CID 10425209

IUPAC4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline
SMILESCc1ccc(NCCCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H23NO/c1-17-8-11-20(12-9-17)22-14-4-5-15-23-21-13-10-18-6-2-3-7-19(18)16-21/h2-3,6-13,16,22H,4-5,14-15H2,1H3
InChIKeyFZAUMROXTSPZEN-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.42
Rot. Bonds7

About 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline

4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline (PubChem CID 10425209) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline
PubChem CID10425209
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline
SMILESCc1ccc(NCCCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H23NO/c1-17-8-11-20(12-9-17)22-14-4-5-15-23-21-13-10-18-6-2-3-7-19(18)16-21/h2-3,6-13,16,22H,4-5,14-15H2,1H3
InChIKeyFZAUMROXTSPZEN-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline?
The IUPAC name of 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline (CID 10425209) is 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline.
What is the SMILES notation for 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline?
The canonical SMILES for 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline is Cc1ccc(NCCCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline?
The InChIKey is FZAUMROXTSPZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-17-8-11-20(12-9-17)22-14-4-5-15-23-21-13-10-18-6-2-3-7-19(18)16-21/h2-3,6-13,16,22H,4-5,14-15H2,1H3.
What are the key properties of 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline?
4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline has a molecular weight of 305.42 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-naphthalen-2-yloxybutyl)aniline is sourced from PubChem (CID 10425209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).