3-(3-amino-2-methylphenoxy)-2-methylaniline

C14H16N2O — CID 18405813

IUPAC3-(3-amino-2-methylphenoxy)-2-methylaniline
SMILESCc1c(N)cccc1Oc1cccc(N)c1C
InChIInChI=1S/C14H16N2O/c1-9-11(15)5-3-7-13(9)17-14-8-4-6-12(16)10(14)2/h3-8H,15-16H2,1-2H3
InChIKeyFIZYGMXDXFTJPS-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.26
Rot. Bonds2

About 3-(3-amino-2-methylphenoxy)-2-methylaniline

3-(3-amino-2-methylphenoxy)-2-methylaniline (PubChem CID 18405813) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(3-amino-2-methylphenoxy)-2-methylaniline.

Molecular Properties

Compound Name3-(3-amino-2-methylphenoxy)-2-methylaniline
PubChem CID18405813
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(3-amino-2-methylphenoxy)-2-methylaniline
SMILESCc1c(N)cccc1Oc1cccc(N)c1C
InChIInChI=1S/C14H16N2O/c1-9-11(15)5-3-7-13(9)17-14-8-4-6-12(16)10(14)2/h3-8H,15-16H2,1-2H3
InChIKeyFIZYGMXDXFTJPS-UHFFFAOYSA-N
XLogP3.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylphenoxy)-2-methylaniline?
The IUPAC name of 3-(3-amino-2-methylphenoxy)-2-methylaniline (CID 18405813) is 3-(3-amino-2-methylphenoxy)-2-methylaniline.
What is the SMILES notation for 3-(3-amino-2-methylphenoxy)-2-methylaniline?
The canonical SMILES for 3-(3-amino-2-methylphenoxy)-2-methylaniline is Cc1c(N)cccc1Oc1cccc(N)c1C.
What is the InChIKey of 3-(3-amino-2-methylphenoxy)-2-methylaniline?
The InChIKey is FIZYGMXDXFTJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-11(15)5-3-7-13(9)17-14-8-4-6-12(16)10(14)2/h3-8H,15-16H2,1-2H3.
What are the key properties of 3-(3-amino-2-methylphenoxy)-2-methylaniline?
3-(3-amino-2-methylphenoxy)-2-methylaniline has a molecular weight of 228.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylphenoxy)-2-methylaniline is sourced from PubChem (CID 18405813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).