N,N-dimethyl-3-(4-phenoxyphenyl)aniline

C20H19NO — CID 57177626

IUPACN,N-dimethyl-3-(4-phenoxyphenyl)aniline
SMILESCN(C)c1cccc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H19NO/c1-21(2)18-8-6-7-17(15-18)16-11-13-20(14-12-16)22-19-9-4-3-5-10-19/h3-15H,1-2H3
InChIKeyOSHBKNJDHMMGSG-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.21
Rot. Bonds4

About N,N-dimethyl-3-(4-phenoxyphenyl)aniline

N,N-dimethyl-3-(4-phenoxyphenyl)aniline (PubChem CID 57177626) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenoxyphenyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenoxyphenyl)aniline
PubChem CID57177626
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC NameN,N-dimethyl-3-(4-phenoxyphenyl)aniline
SMILESCN(C)c1cccc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H19NO/c1-21(2)18-8-6-7-17(15-18)16-11-13-20(14-12-16)22-19-9-4-3-5-10-19/h3-15H,1-2H3
InChIKeyOSHBKNJDHMMGSG-UHFFFAOYSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-phenoxyphenyl)aniline?
The IUPAC name of N,N-dimethyl-3-(4-phenoxyphenyl)aniline (CID 57177626) is N,N-dimethyl-3-(4-phenoxyphenyl)aniline.
What is the SMILES notation for N,N-dimethyl-3-(4-phenoxyphenyl)aniline?
The canonical SMILES for N,N-dimethyl-3-(4-phenoxyphenyl)aniline is CN(C)c1cccc(-c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N,N-dimethyl-3-(4-phenoxyphenyl)aniline?
The InChIKey is OSHBKNJDHMMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-21(2)18-8-6-7-17(15-18)16-11-13-20(14-12-16)22-19-9-4-3-5-10-19/h3-15H,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-phenoxyphenyl)aniline?
N,N-dimethyl-3-(4-phenoxyphenyl)aniline has a molecular weight of 289.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenoxyphenyl)aniline is sourced from PubChem (CID 57177626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).