N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline

C25H29NO2 — CID 54801441

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
SMILESCc1ccc(OCCNc2ccccc2OCCCc2ccccc2)c(C)c1
InChIInChI=1S/C25H29NO2/c1-20-14-15-24(21(2)19-20)28-18-16-26-23-12-6-7-13-25(23)27-17-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,19,26H,8,11,16-18H2,1-2H3
InChIKeyZIAJMUBVQQUPFT-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.81
Rot. Bonds10

About N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline

N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline (PubChem CID 54801441) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
PubChem CID54801441
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
SMILESCc1ccc(OCCNc2ccccc2OCCCc2ccccc2)c(C)c1
InChIInChI=1S/C25H29NO2/c1-20-14-15-24(21(2)19-20)28-18-16-26-23-12-6-7-13-25(23)27-17-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,19,26H,8,11,16-18H2,1-2H3
InChIKeyZIAJMUBVQQUPFT-UHFFFAOYSA-N
XLogP5.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801419
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
N-[2-(2-tert-butylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801302
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
CID 54783951
2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
CID 83961718
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline (CID 54801441) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline is Cc1ccc(OCCNc2ccccc2OCCCc2ccccc2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline?
The InChIKey is ZIAJMUBVQQUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-20-14-15-24(21(2)19-20)28-18-16-26-23-12-6-7-13-25(23)27-17-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,19,26H,8,11,16-18H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline has a molecular weight of 375.51 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54801441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).