3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline

C26H25NO2 — CID 144784956

IUPAC3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
SMILESCNc1cccc(OC)c1COc1ccc(-c2cccc3ccccc23)cc1C
InChIInChI=1S/C26H25NO2/c1-18-16-20(22-11-6-9-19-8-4-5-10-21(19)22)14-15-25(18)29-17-23-24(27-2)12-7-13-26(23)28-3/h4-16,27H,17H2,1-3H3
InChIKeyMCGHLZBIULVJPA-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.44
Rot. Bonds6

About 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline

3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline (PubChem CID 144784956) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
PubChem CID144784956
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
SMILESCNc1cccc(OC)c1COc1ccc(-c2cccc3ccccc23)cc1C
InChIInChI=1S/C26H25NO2/c1-18-16-20(22-11-6-9-19-8-4-5-10-21(19)22)14-15-25(18)29-17-23-24(27-2)12-7-13-26(23)28-3/h4-16,27H,17H2,1-3H3
InChIKeyMCGHLZBIULVJPA-UHFFFAOYSA-N
XLogP6.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline?
The IUPAC name of 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline (CID 144784956) is 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline?
The canonical SMILES for 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline is CNc1cccc(OC)c1COc1ccc(-c2cccc3ccccc23)cc1C.
What is the InChIKey of 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline?
The InChIKey is MCGHLZBIULVJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-18-16-20(22-11-6-9-19-8-4-5-10-21(19)22)14-15-25(18)29-17-23-24(27-2)12-7-13-26(23)28-3/h4-16,27H,17H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline?
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline has a molecular weight of 383.49 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline is sourced from PubChem (CID 144784956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).