2-(3-methoxy-5-methylphenoxy)-N-methylaniline

C15H17NO2 — CID 176939009

IUPAC2-(3-methoxy-5-methylphenoxy)-N-methylaniline
SMILESCNc1ccccc1Oc1cc(C)cc(OC)c1
InChIInChI=1S/C15H17NO2/c1-11-8-12(17-3)10-13(9-11)18-15-7-5-4-6-14(15)16-2/h4-10,16H,1-3H3
InChIKeyCYYTXAASYUYXML-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.84
Rot. Bonds4

About 2-(3-methoxy-5-methylphenoxy)-N-methylaniline

2-(3-methoxy-5-methylphenoxy)-N-methylaniline (PubChem CID 176939009) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylphenoxy)-N-methylaniline.

Molecular Properties

Compound Name2-(3-methoxy-5-methylphenoxy)-N-methylaniline
PubChem CID176939009
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(3-methoxy-5-methylphenoxy)-N-methylaniline
SMILESCNc1ccccc1Oc1cc(C)cc(OC)c1
InChIInChI=1S/C15H17NO2/c1-11-8-12(17-3)10-13(9-11)18-15-7-5-4-6-14(15)16-2/h4-10,16H,1-3H3
InChIKeyCYYTXAASYUYXML-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
N-methyl-2-phenoxyaniline
CID 22961955
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
CID 176939013
3-methoxy-5-methyl-N-phenylaniline
CID 139833752
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine
CID 146385789
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylphenoxy)-N-methylaniline?
The IUPAC name of 2-(3-methoxy-5-methylphenoxy)-N-methylaniline (CID 176939009) is 2-(3-methoxy-5-methylphenoxy)-N-methylaniline.
What is the SMILES notation for 2-(3-methoxy-5-methylphenoxy)-N-methylaniline?
The canonical SMILES for 2-(3-methoxy-5-methylphenoxy)-N-methylaniline is CNc1ccccc1Oc1cc(C)cc(OC)c1.
What is the InChIKey of 2-(3-methoxy-5-methylphenoxy)-N-methylaniline?
The InChIKey is CYYTXAASYUYXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-8-12(17-3)10-13(9-11)18-15-7-5-4-6-14(15)16-2/h4-10,16H,1-3H3.
What are the key properties of 2-(3-methoxy-5-methylphenoxy)-N-methylaniline?
2-(3-methoxy-5-methylphenoxy)-N-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylphenoxy)-N-methylaniline is sourced from PubChem (CID 176939009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).