5-[(4-aminophenoxy)methoxy]-2-methylaniline

C14H16N2O2 — CID 146356078

IUPAC5-[(4-aminophenoxy)methoxy]-2-methylaniline
SMILESCc1ccc(OCOc2ccc(N)cc2)cc1N
InChIInChI=1S/C14H16N2O2/c1-10-2-5-13(8-14(10)16)18-9-17-12-6-3-11(15)4-7-12/h2-8H,9,15-16H2,1H3
InChIKeyUIJZFIAPNICNMY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds4

About 5-[(4-aminophenoxy)methoxy]-2-methylaniline

5-[(4-aminophenoxy)methoxy]-2-methylaniline (PubChem CID 146356078) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[(4-aminophenoxy)methoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[(4-aminophenoxy)methoxy]-2-methylaniline
PubChem CID146356078
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-[(4-aminophenoxy)methoxy]-2-methylaniline
SMILESCc1ccc(OCOc2ccc(N)cc2)cc1N
InChIInChI=1S/C14H16N2O2/c1-10-2-5-13(8-14(10)16)18-9-17-12-6-3-11(15)4-7-12/h2-8H,9,15-16H2,1H3
InChIKeyUIJZFIAPNICNMY-UHFFFAOYSA-N
XLogP2.57
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
CID 82097286
5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
CID 82097177
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
CID 39371068
5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
CID 82097172
4-methylbenzene-1,3-diamine
CID 159171817
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
2-methyl-5-[3-[4-(2-methylbutan-2-yl)phenoxy]propoxy]aniline
CID 82097183
2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
CID 166607692
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
5-(3-ethylsulfonylpropoxy)-2-methylaniline
CID 114252472
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenoxy)methoxy]-2-methylaniline?
The IUPAC name of 5-[(4-aminophenoxy)methoxy]-2-methylaniline (CID 146356078) is 5-[(4-aminophenoxy)methoxy]-2-methylaniline.
What is the SMILES notation for 5-[(4-aminophenoxy)methoxy]-2-methylaniline?
The canonical SMILES for 5-[(4-aminophenoxy)methoxy]-2-methylaniline is Cc1ccc(OCOc2ccc(N)cc2)cc1N.
What is the InChIKey of 5-[(4-aminophenoxy)methoxy]-2-methylaniline?
The InChIKey is UIJZFIAPNICNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-2-5-13(8-14(10)16)18-9-17-12-6-3-11(15)4-7-12/h2-8H,9,15-16H2,1H3.
What are the key properties of 5-[(4-aminophenoxy)methoxy]-2-methylaniline?
5-[(4-aminophenoxy)methoxy]-2-methylaniline has a molecular weight of 244.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminophenoxy)methoxy]-2-methylaniline is sourced from PubChem (CID 146356078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).