N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline

C22H23NO2 — CID 144784982

IUPACN,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
SMILESCNc1cccc(C)c1COc1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C22H23NO2/c1-16-8-7-11-21(23-3)20(16)15-24-22-13-12-19(14-17(22)2)25-18-9-5-4-6-10-18/h4-14,23H,15H2,1-3H3
InChIKeyURBNQQPPHRTQCR-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.72
Rot. Bonds6

About N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline

N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline (PubChem CID 144784982) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
PubChem CID144784982
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
SMILESCNc1cccc(C)c1COc1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C22H23NO2/c1-16-8-7-11-21(23-3)20(16)15-24-22-13-12-19(14-17(22)2)25-18-9-5-4-6-10-18/h4-14,23H,15H2,1-3H3
InChIKeyURBNQQPPHRTQCR-UHFFFAOYSA-N
XLogP5.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline?
The IUPAC name of N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline (CID 144784982) is N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline.
What is the SMILES notation for N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline?
The canonical SMILES for N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline is CNc1cccc(C)c1COc1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline?
The InChIKey is URBNQQPPHRTQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-8-7-11-21(23-3)20(16)15-24-22-13-12-19(14-17(22)2)25-18-9-5-4-6-10-18/h4-14,23H,15H2,1-3H3.
What are the key properties of N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline?
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline has a molecular weight of 333.43 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline is sourced from PubChem (CID 144784982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).