2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline

C19H25NO2 — CID 82096578

IUPAC2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCOc1ccc(C)cc1NCCCCOc1cccc(C)c1
InChIInChI=1S/C19H25NO2/c1-15-7-6-8-17(13-15)22-12-5-4-11-20-18-14-16(2)9-10-19(18)21-3/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeyYMSNPLLTNCZYFR-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.58
Rot. Bonds8

About 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline

2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline (PubChem CID 82096578) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
PubChem CID82096578
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCOc1ccc(C)cc1NCCCCOc1cccc(C)c1
InChIInChI=1S/C19H25NO2/c1-15-7-6-8-17(13-15)22-12-5-4-11-20-18-14-16(2)9-10-19(18)21-3/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeyYMSNPLLTNCZYFR-UHFFFAOYSA-N
XLogP4.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095907
3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095952
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
CID 51248463
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148116
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline (CID 82096578) is 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline is COc1ccc(C)cc1NCCCCOc1cccc(C)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
The InChIKey is YMSNPLLTNCZYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-7-6-8-17(13-15)22-12-5-4-11-20-18-14-16(2)9-10-19(18)21-3/h6-10,13-14,20H,4-5,11-12H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline is sourced from PubChem (CID 82096578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).