4-[5-(2-methoxyethoxy)pentoxy]aniline

C14H23NO3 — CID 3026839

IUPAC4-[5-(2-methoxyethoxy)pentoxy]aniline
SMILESCOCCOCCCCCOc1ccc(N)cc1
InChIInChI=1S/C14H23NO3/c1-16-11-12-17-9-3-2-4-10-18-14-7-5-13(15)6-8-14/h5-8H,2-4,9-12,15H2,1H3
InChIKeyXSHFOTJJJOTFDJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.48
Rot. Bonds10

About 4-[5-(2-methoxyethoxy)pentoxy]aniline

4-[5-(2-methoxyethoxy)pentoxy]aniline (PubChem CID 3026839) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[5-(2-methoxyethoxy)pentoxy]aniline.

Molecular Properties

Compound Name4-[5-(2-methoxyethoxy)pentoxy]aniline
PubChem CID3026839
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[5-(2-methoxyethoxy)pentoxy]aniline
SMILESCOCCOCCCCCOc1ccc(N)cc1
InChIInChI=1S/C14H23NO3/c1-16-11-12-17-9-3-2-4-10-18-14-7-5-13(15)6-8-14/h5-8H,2-4,9-12,15H2,1H3
InChIKeyXSHFOTJJJOTFDJ-UHFFFAOYSA-N
XLogP2.48
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 4-[5-(2-methoxyethoxy)pentoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-heptoxyethoxy)aniline
CID 43366149
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-(2-pentoxyethoxy)aniline
CID 43274923
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
1-[2-[2-[4-(4-aminophenoxy)butoxy]ethoxy]ethoxy]butan-2-one
CID 142407940
4-(3-ethoxypropoxy)aniline
CID 43365878
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate
CID 23522622
1-[2-(4-decoxyphenyl)ethynyl]-3,5-bis[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]benzene
CID 101486311

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyethoxy)pentoxy]aniline?
The IUPAC name of 4-[5-(2-methoxyethoxy)pentoxy]aniline (CID 3026839) is 4-[5-(2-methoxyethoxy)pentoxy]aniline.
What is the SMILES notation for 4-[5-(2-methoxyethoxy)pentoxy]aniline?
The canonical SMILES for 4-[5-(2-methoxyethoxy)pentoxy]aniline is COCCOCCCCCOc1ccc(N)cc1.
What is the InChIKey of 4-[5-(2-methoxyethoxy)pentoxy]aniline?
The InChIKey is XSHFOTJJJOTFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-16-11-12-17-9-3-2-4-10-18-14-7-5-13(15)6-8-14/h5-8H,2-4,9-12,15H2,1H3.
What are the key properties of 4-[5-(2-methoxyethoxy)pentoxy]aniline?
4-[5-(2-methoxyethoxy)pentoxy]aniline has a molecular weight of 253.34 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyethoxy)pentoxy]aniline is sourced from PubChem (CID 3026839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).