2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline

C18H23NO2 — CID 82097286

IUPAC2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
SMILESCc1ccc(OCCCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C18H23NO2/c1-14-5-8-16(9-6-14)20-11-3-4-12-21-17-10-7-15(2)18(19)13-17/h5-10,13H,3-4,11-12,19H2,1-2H3
InChIKeyBUGLNJBVLFGUHI-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.12
Rot. Bonds7

About 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline

2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline (PubChem CID 82097286) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
PubChem CID82097286
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
SMILESCc1ccc(OCCCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C18H23NO2/c1-14-5-8-16(9-6-14)20-11-3-4-12-21-17-10-7-15(2)18(19)13-17/h5-10,13H,3-4,11-12,19H2,1-2H3
InChIKeyBUGLNJBVLFGUHI-UHFFFAOYSA-N
XLogP4.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
CID 82097177
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
CID 82097172
5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
CID 39371068
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
CID 82097295
5-(3-ethylsulfonylpropoxy)-2-methylaniline
CID 114252472
2-methyl-5-[3-[4-(2-methylbutan-2-yl)phenoxy]propoxy]aniline
CID 82097183
5-[(4-aminophenoxy)methoxy]-2-methylaniline
CID 146356078
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline?
The IUPAC name of 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline (CID 82097286) is 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline.
What is the SMILES notation for 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline?
The canonical SMILES for 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline is Cc1ccc(OCCCCOc2ccc(C)c(N)c2)cc1.
What is the InChIKey of 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline?
The InChIKey is BUGLNJBVLFGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-5-8-16(9-6-14)20-11-3-4-12-21-17-10-7-15(2)18(19)13-17/h5-10,13H,3-4,11-12,19H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline?
2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline is sourced from PubChem (CID 82097286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).