4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline

C21H23NO2 — CID 11723603

IUPAC4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline
SMILESCOc1ccc(N(C)CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H23NO2/c1-22(19-9-12-20(23-2)13-10-19)14-5-15-24-21-11-8-17-6-3-4-7-18(17)16-21/h3-4,6-13,16H,5,14-15H2,1-2H3
InChIKeyCLXOYFWUUNFGCZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.75
Rot. Bonds7

About 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline

4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline (PubChem CID 11723603) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline
PubChem CID11723603
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline
SMILESCOc1ccc(N(C)CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H23NO2/c1-22(19-9-12-20(23-2)13-10-19)14-5-15-24-21-11-8-17-6-3-4-7-18(17)16-21/h3-4,6-13,16H,5,14-15H2,1-2H3
InChIKeyCLXOYFWUUNFGCZ-UHFFFAOYSA-N
XLogP4.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline?
The IUPAC name of 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline (CID 11723603) is 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline is COc1ccc(N(C)CCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline?
The InChIKey is CLXOYFWUUNFGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22(19-9-12-20(23-2)13-10-19)14-5-15-24-21-11-8-17-6-3-4-7-18(17)16-21/h3-4,6-13,16H,5,14-15H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline?
4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline has a molecular weight of 321.42 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(3-naphthalen-2-yloxypropyl)aniline is sourced from PubChem (CID 11723603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).