N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline

C25H29NO2 — CID 54802599

IUPACN-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
SMILESCc1ccc(C)c(OC(C)CNc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C25H29NO2/c1-19-12-13-20(2)25(16-19)28-21(3)18-26-23-10-7-11-24(17-23)27-15-14-22-8-5-4-6-9-22/h4-13,16-17,21,26H,14-15,18H2,1-3H3
InChIKeyCEOZKMOTMGOYTQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.80
Rot. Bonds9

About N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline

N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline (PubChem CID 54802599) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
PubChem CID54802599
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
SMILESCc1ccc(C)c(OC(C)CNc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C25H29NO2/c1-19-12-13-20(2)25(16-19)28-21(3)18-26-23-10-7-11-24(17-23)27-15-14-22-8-5-4-6-9-22/h4-13,16-17,21,26H,14-15,18H2,1-3H3
InChIKeyCEOZKMOTMGOYTQ-UHFFFAOYSA-N
XLogP5.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
CID 54802531
N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801861
N-[2-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801863
3-(3-methylbutoxy)-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800540
3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800925
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741
N-[2-(2-methylphenoxy)butyl]-3-(3-phenylpropoxy)aniline
CID 54801839
N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800205
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
N-[2-(2,5-dimethylphenoxy)ethyl]-3-(3-methylbutoxy)aniline
CID 54800506
3-butan-2-yloxy-N-[2-(2,5-dimethylphenoxy)ethyl]aniline
CID 54802671

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline (CID 54802599) is N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline is Cc1ccc(C)c(OC(C)CNc2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline?
The InChIKey is CEOZKMOTMGOYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-19-12-13-20(2)25(16-19)28-21(3)18-26-23-10-7-11-24(17-23)27-15-14-22-8-5-4-6-9-22/h4-13,16-17,21,26H,14-15,18H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline?
N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline has a molecular weight of 375.51 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline is sourced from PubChem (CID 54802599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).