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

C18H23NO2 — CID 82096032

IUPAC3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
SMILESCOc1cccc(NCCCCOc2ccccc2C)c1
InChIInChI=1S/C18H23NO2/c1-15-8-3-4-11-18(15)21-13-6-5-12-19-16-9-7-10-17(14-16)20-2/h3-4,7-11,14,19H,5-6,12-13H2,1-2H3
InChIKeyKGWIDDDJCAKRFB-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds8

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

3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline (PubChem CID 82096032) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
PubChem CID82096032
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
SMILESCOc1cccc(NCCCCOc2ccccc2C)c1
InChIInChI=1S/C18H23NO2/c1-15-8-3-4-11-18(15)21-13-6-5-12-19-16-9-7-10-17(14-16)20-2/h3-4,7-11,14,19H,5-6,12-13H2,1-2H3
InChIKeyKGWIDDDJCAKRFB-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.27
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

3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-hexyl-3-methoxyaniline
CID 15500485
1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene
CID 2252067
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
3-chloro-4-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54797567
3-butoxy-N-octylaniline
CID 54800685
N-(4-methoxybutyl)-3-(trifluoromethoxy)aniline
CID 112701030

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline?
The IUPAC name of 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline (CID 82096032) is 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline.
What is the SMILES notation for 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline?
The canonical SMILES for 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline is COc1cccc(NCCCCOc2ccccc2C)c1.
What is the InChIKey of 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline?
The InChIKey is KGWIDDDJCAKRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-8-3-4-11-18(15)21-13-6-5-12-19-16-9-7-10-17(14-16)20-2/h3-4,7-11,14,19H,5-6,12-13H2,1-2H3.
What are the key properties of 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline?
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline is sourced from PubChem (CID 82096032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).