N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline

C22H23NO2 — CID 54796761

IUPACN-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline
SMILESCc1ccccc1OC(C)CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-17-8-6-7-11-22(17)24-18(2)16-23-19-12-14-21(15-13-19)25-20-9-4-3-5-10-20/h3-15,18,23H,16H2,1-2H3
InChIKeyNLIJQUSWDPHUOB-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.67
Rot. Bonds7

About N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline

N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline (PubChem CID 54796761) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline
PubChem CID54796761
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline
SMILESCc1ccccc1OC(C)CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-17-8-6-7-11-22(17)24-18(2)16-23-19-12-14-21(15-13-19)25-20-9-4-3-5-10-20/h3-15,18,23H,16H2,1-2H3
InChIKeyNLIJQUSWDPHUOB-UHFFFAOYSA-N
XLogP5.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenoxy)propyl]-4-propoxyaniline
CID 54799019
3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800925
3-(3-methylbutoxy)-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800540
2-(2-methylphenoxy)propylhydrazine
CID 82280822
N-[2-(2-chlorophenoxy)propyl]-4-methylaniline
CID 54797024
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741
N-[2-(4-bromo-3-methylphenoxy)propyl]aniline
CID 83140021
N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
CID 54802599
N-butyl-4-phenoxyaniline
CID 4712110
5-[2-(2-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048266
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline?
The IUPAC name of N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline (CID 54796761) is N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline.
What is the SMILES notation for N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline?
The canonical SMILES for N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline is Cc1ccccc1OC(C)CNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline?
The InChIKey is NLIJQUSWDPHUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-17-8-6-7-11-22(17)24-18(2)16-23-19-12-14-21(15-13-19)25-20-9-4-3-5-10-20/h3-15,18,23H,16H2,1-2H3.
What are the key properties of N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline?
N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline has a molecular weight of 333.43 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline is sourced from PubChem (CID 54796761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).