3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline

C19H25NO2 — CID 134583052

IUPAC3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline
SMILESCNc1cccc(Oc2ccc(COCC(C)(C)C)cc2)c1
InChIInChI=1S/C19H25NO2/c1-19(2,3)14-21-13-15-8-10-17(11-9-15)22-18-7-5-6-16(12-18)20-4/h5-12,20H,13-14H2,1-4H3
InChIKeyQWYULLLOGGJECO-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.08
Rot. Bonds6

About 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline

3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline (PubChem CID 134583052) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline
PubChem CID134583052
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline
SMILESCNc1cccc(Oc2ccc(COCC(C)(C)C)cc2)c1
InChIInChI=1S/C19H25NO2/c1-19(2,3)14-21-13-15-8-10-17(11-9-15)22-18-7-5-6-16(12-18)20-4/h5-12,20H,13-14H2,1-4H3
InChIKeyQWYULLLOGGJECO-UHFFFAOYSA-N
XLogP5.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-[(2S)-3-methylbutan-2-yl]aniline
CID 126671348
3-methyl-1-[[4-[3-(propan-2-ylamino)phenoxy]phenyl]methoxy]butan-2-one
CID 126654781
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
CID 91703784
potassium N-methyl-3-(phenoxy)aniline
CID 162523156
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene
CID 13194645
1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
3-[4-[5-[4-[3-(methylamino)phenoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]aniline
CID 123635103
2-[4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenoxy]acetic acid
CID 19972046

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline?
The IUPAC name of 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline (CID 134583052) is 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline.
What is the SMILES notation for 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline?
The canonical SMILES for 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline is CNc1cccc(Oc2ccc(COCC(C)(C)C)cc2)c1.
What is the InChIKey of 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline?
The InChIKey is QWYULLLOGGJECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2,3)14-21-13-15-8-10-17(11-9-15)22-18-7-5-6-16(12-18)20-4/h5-12,20H,13-14H2,1-4H3.
What are the key properties of 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline?
3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline has a molecular weight of 299.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline is sourced from PubChem (CID 134583052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).