5-methyl-2-(4-propoxyphenoxy)aniline

C16H19NO2 — CID 43168923

IUPAC5-methyl-2-(4-propoxyphenoxy)aniline
SMILESCCCOc1ccc(Oc2ccc(C)cc2N)cc1
InChIInChI=1S/C16H19NO2/c1-3-10-18-13-5-7-14(8-6-13)19-16-9-4-12(2)11-15(16)17/h4-9,11H,3,10,17H2,1-2H3
InChIKeyIPLPAXXPWUZGSQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.16
Rot. Bonds5

About 5-methyl-2-(4-propoxyphenoxy)aniline

5-methyl-2-(4-propoxyphenoxy)aniline (PubChem CID 43168923) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-methyl-2-(4-propoxyphenoxy)aniline.

Molecular Properties

Compound Name5-methyl-2-(4-propoxyphenoxy)aniline
PubChem CID43168923
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-methyl-2-(4-propoxyphenoxy)aniline
SMILESCCCOc1ccc(Oc2ccc(C)cc2N)cc1
InChIInChI=1S/C16H19NO2/c1-3-10-18-13-5-7-14(8-6-13)19-16-9-4-12(2)11-15(16)17/h4-9,11H,3,10,17H2,1-2H3
InChIKeyIPLPAXXPWUZGSQ-UHFFFAOYSA-N
XLogP4.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
4-methyl-2-propoxyaniline
CID 24698653
4-[4-(4-octoxyphenyl)phenoxy]benzene-1,3-diamine
CID 58747356
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
5-methyl-2-naphthalen-2-yloxyaniline
CID 26189514
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
2-[(5-methoxy-2-pyridinyl)oxy]-5-methylaniline
CID 106504321
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
2-(4-chloro-3-fluorophenoxy)-5-methylaniline
CID 82716538

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-propoxyphenoxy)aniline?
The IUPAC name of 5-methyl-2-(4-propoxyphenoxy)aniline (CID 43168923) is 5-methyl-2-(4-propoxyphenoxy)aniline.
What is the SMILES notation for 5-methyl-2-(4-propoxyphenoxy)aniline?
The canonical SMILES for 5-methyl-2-(4-propoxyphenoxy)aniline is CCCOc1ccc(Oc2ccc(C)cc2N)cc1.
What is the InChIKey of 5-methyl-2-(4-propoxyphenoxy)aniline?
The InChIKey is IPLPAXXPWUZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-10-18-13-5-7-14(8-6-13)19-16-9-4-12(2)11-15(16)17/h4-9,11H,3,10,17H2,1-2H3.
What are the key properties of 5-methyl-2-(4-propoxyphenoxy)aniline?
5-methyl-2-(4-propoxyphenoxy)aniline has a molecular weight of 257.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-propoxyphenoxy)aniline is sourced from PubChem (CID 43168923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).