4-(2-pentoxyethoxy)aniline

C13H21NO2 — CID 43274923

IUPAC4-(2-pentoxyethoxy)aniline
SMILESCCCCCOCCOc1ccc(N)cc1
InChIInChI=1S/C13H21NO2/c1-2-3-4-9-15-10-11-16-13-7-5-12(14)6-8-13/h5-8H,2-4,9-11,14H2,1H3
InChIKeyDUDGMBHFGGKNNV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.85
Rot. Bonds8

About 4-(2-pentoxyethoxy)aniline

4-(2-pentoxyethoxy)aniline (PubChem CID 43274923) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-pentoxyethoxy)aniline.

Molecular Properties

Compound Name4-(2-pentoxyethoxy)aniline
PubChem CID43274923
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(2-pentoxyethoxy)aniline
SMILESCCCCCOCCOc1ccc(N)cc1
InChIInChI=1S/C13H21NO2/c1-2-3-4-9-15-10-11-16-13-7-5-12(14)6-8-13/h5-8H,2-4,9-11,14H2,1H3
InChIKeyDUDGMBHFGGKNNV-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.85
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-(2-heptoxyethoxy)aniline
CID 43366149
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
2-pentoxyethoxybenzene
CID 54431229
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-(4-hexoxyphenyl)ethynyl]aniline
CID 22644339
1,4-dipentoxybenzene
CID 18314717
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-dodecoxyethoxybenzene
CID 67831231
4-(3-ethoxypropoxy)aniline
CID 43365878

Frequently Asked Questions

What is the IUPAC name of 4-(2-pentoxyethoxy)aniline?
The IUPAC name of 4-(2-pentoxyethoxy)aniline (CID 43274923) is 4-(2-pentoxyethoxy)aniline.
What is the SMILES notation for 4-(2-pentoxyethoxy)aniline?
The canonical SMILES for 4-(2-pentoxyethoxy)aniline is CCCCCOCCOc1ccc(N)cc1.
What is the InChIKey of 4-(2-pentoxyethoxy)aniline?
The InChIKey is DUDGMBHFGGKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-4-9-15-10-11-16-13-7-5-12(14)6-8-13/h5-8H,2-4,9-11,14H2,1H3.
What are the key properties of 4-(2-pentoxyethoxy)aniline?
4-(2-pentoxyethoxy)aniline has a molecular weight of 223.32 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pentoxyethoxy)aniline is sourced from PubChem (CID 43274923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).