5-methyl-2-(3-phenoxypropoxy)aniline

C16H19NO2 — CID 62056343

IUPAC5-methyl-2-(3-phenoxypropoxy)aniline
SMILESCc1ccc(OCCCOc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO2/c1-13-8-9-16(15(17)12-13)19-11-5-10-18-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3
InChIKeyOMLNIBFHWINXMC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.43
Rot. Bonds6

About 5-methyl-2-(3-phenoxypropoxy)aniline

5-methyl-2-(3-phenoxypropoxy)aniline (PubChem CID 62056343) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-methyl-2-(3-phenoxypropoxy)aniline.

Molecular Properties

Compound Name5-methyl-2-(3-phenoxypropoxy)aniline
PubChem CID62056343
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-methyl-2-(3-phenoxypropoxy)aniline
SMILESCc1ccc(OCCCOc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO2/c1-13-8-9-16(15(17)12-13)19-11-5-10-18-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3
InChIKeyOMLNIBFHWINXMC-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.43
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

2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
3-amino-4-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 82057315
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
5-methyl-2-(2-phenoxyethylsulfanyl)aniline
CID 43302590
1-[3-amino-4-[3-(4-methylphenoxy)propoxy]phenyl]ethanone
CID 82064182
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-phenoxypropoxy)aniline?
The IUPAC name of 5-methyl-2-(3-phenoxypropoxy)aniline (CID 62056343) is 5-methyl-2-(3-phenoxypropoxy)aniline.
What is the SMILES notation for 5-methyl-2-(3-phenoxypropoxy)aniline?
The canonical SMILES for 5-methyl-2-(3-phenoxypropoxy)aniline is Cc1ccc(OCCCOc2ccccc2)c(N)c1.
What is the InChIKey of 5-methyl-2-(3-phenoxypropoxy)aniline?
The InChIKey is OMLNIBFHWINXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-13-8-9-16(15(17)12-13)19-11-5-10-18-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3.
What are the key properties of 5-methyl-2-(3-phenoxypropoxy)aniline?
5-methyl-2-(3-phenoxypropoxy)aniline has a molecular weight of 257.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-phenoxypropoxy)aniline is sourced from PubChem (CID 62056343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).