4-[5-(4-phenylphenoxy)pentoxy]aniline

C23H25NO2 — CID 24833731

IUPAC4-[5-(4-phenylphenoxy)pentoxy]aniline
SMILESNc1ccc(OCCCCCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO2/c24-21-11-15-23(16-12-21)26-18-6-2-5-17-25-22-13-9-20(10-14-22)19-7-3-1-4-8-19/h1,3-4,7-16H,2,5-6,17-18,24H2
InChIKeyOEJKCLPXCRGRRS-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.56
Rot. Bonds9

About 4-[5-(4-phenylphenoxy)pentoxy]aniline

4-[5-(4-phenylphenoxy)pentoxy]aniline (PubChem CID 24833731) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[5-(4-phenylphenoxy)pentoxy]aniline.

Molecular Properties

Compound Name4-[5-(4-phenylphenoxy)pentoxy]aniline
PubChem CID24833731
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-[5-(4-phenylphenoxy)pentoxy]aniline
SMILESNc1ccc(OCCCCCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO2/c24-21-11-15-23(16-12-21)26-18-6-2-5-17-25-22-13-9-20(10-14-22)19-7-3-1-4-8-19/h1,3-4,7-16H,2,5-6,17-18,24H2
InChIKeyOEJKCLPXCRGRRS-UHFFFAOYSA-N
XLogP5.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
1-pentoxy-4-phenylbenzene
CID 7021155
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
4-(4-phenylsulfanylbutoxy)aniline
CID 82097952
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
4-(3-amino-6-phenoxyhexoxy)aniline
CID 20534953
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
6-(4-aminophenoxy)hexanoic acid
CID 3028577

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-phenylphenoxy)pentoxy]aniline?
The IUPAC name of 4-[5-(4-phenylphenoxy)pentoxy]aniline (CID 24833731) is 4-[5-(4-phenylphenoxy)pentoxy]aniline.
What is the SMILES notation for 4-[5-(4-phenylphenoxy)pentoxy]aniline?
The canonical SMILES for 4-[5-(4-phenylphenoxy)pentoxy]aniline is Nc1ccc(OCCCCCOc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[5-(4-phenylphenoxy)pentoxy]aniline?
The InChIKey is OEJKCLPXCRGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c24-21-11-15-23(16-12-21)26-18-6-2-5-17-25-22-13-9-20(10-14-22)19-7-3-1-4-8-19/h1,3-4,7-16H,2,5-6,17-18,24H2.
What are the key properties of 4-[5-(4-phenylphenoxy)pentoxy]aniline?
4-[5-(4-phenylphenoxy)pentoxy]aniline has a molecular weight of 347.46 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenylphenoxy)pentoxy]aniline is sourced from PubChem (CID 24833731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).