4-(2,3-dimethylphenoxy)-N,N-dimethylaniline

C16H19NO — CID 59069197

IUPAC4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
SMILESCc1cccc(Oc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C16H19NO/c1-12-6-5-7-16(13(12)2)18-15-10-8-14(9-11-15)17(3)4/h5-11H,1-4H3
InChIKeyAYDZIDUBGHDUHP-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.16
Rot. Bonds3

About 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline

4-(2,3-dimethylphenoxy)-N,N-dimethylaniline (PubChem CID 59069197) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
PubChem CID59069197
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
SMILESCc1cccc(Oc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C16H19NO/c1-12-6-5-7-16(13(12)2)18-15-10-8-14(9-11-15)17(3)4/h5-11H,1-4H3
InChIKeyAYDZIDUBGHDUHP-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dimethylphenoxy)phenyl]methanol
CID 28946045
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
ethane;N,N,4-trimethylaniline;1,2,3-trimethylbenzene
CID 142152742
4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline
CID 71329975
N,N,2-trimethyl-6-phenoxyaniline
CID 91549486
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
CID 114065883
4-(4-fluorophenoxy)-N,N,3-trimethylaniline
CID 156755640
N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63551807
3-(2,3-dimethylphenoxy)thiophene
CID 173291828
1,2-dimethyl-3-[4-(3-methyl-4-pentylphenoxy)phenoxy]benzene
CID 167138417
2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
CID 765583

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline?
The IUPAC name of 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline (CID 59069197) is 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline is Cc1cccc(Oc2ccc(N(C)C)cc2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline?
The InChIKey is AYDZIDUBGHDUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-6-5-7-16(13(12)2)18-15-10-8-14(9-11-15)17(3)4/h5-11H,1-4H3.
What are the key properties of 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline?
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline has a molecular weight of 241.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-N,N-dimethylaniline is sourced from PubChem (CID 59069197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).