4-(2,3-dimethylphenoxy)-2-methoxyaniline

C15H17NO2 — CID 63677998

IUPAC4-(2,3-dimethylphenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2cccc(C)c2C)ccc1N
InChIInChI=1S/C15H17NO2/c1-10-5-4-6-14(11(10)2)18-12-7-8-13(16)15(9-12)17-3/h4-9H,16H2,1-3H3
InChIKeyGCFOWMGHGSTVNM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.69
Rot. Bonds3

About 4-(2,3-dimethylphenoxy)-2-methoxyaniline

4-(2,3-dimethylphenoxy)-2-methoxyaniline (PubChem CID 63677998) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-2-methoxyaniline.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-2-methoxyaniline
PubChem CID63677998
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(2,3-dimethylphenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2cccc(C)c2C)ccc1N
InChIInChI=1S/C15H17NO2/c1-10-5-4-6-14(11(10)2)18-12-7-8-13(16)15(9-12)17-3/h4-9H,16H2,1-3H3
InChIKeyGCFOWMGHGSTVNM-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.69
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-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-methoxy-4-quinolin-8-yloxyaniline
CID 63678209
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2,4-bis(3-methylphenoxy)aniline
CID 34173748
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
CID 63677792
2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline
CID 69195684
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-2-methoxyaniline?
The IUPAC name of 4-(2,3-dimethylphenoxy)-2-methoxyaniline (CID 63677998) is 4-(2,3-dimethylphenoxy)-2-methoxyaniline.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-2-methoxyaniline?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-2-methoxyaniline is COc1cc(Oc2cccc(C)c2C)ccc1N.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-2-methoxyaniline?
The InChIKey is GCFOWMGHGSTVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-5-4-6-14(11(10)2)18-12-7-8-13(16)15(9-12)17-3/h4-9H,16H2,1-3H3.
What are the key properties of 4-(2,3-dimethylphenoxy)-2-methoxyaniline?
4-(2,3-dimethylphenoxy)-2-methoxyaniline has a molecular weight of 243.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-2-methoxyaniline is sourced from PubChem (CID 63677998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).