4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline

C19H25NO3 — CID 67652170

IUPAC4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline
SMILESCCCc1ccccc1OCCOCCOc1ccc(N)cc1
InChIInChI=1S/C19H25NO3/c1-2-5-16-6-3-4-7-19(16)23-15-13-21-12-14-22-18-10-8-17(20)9-11-18/h3-4,6-11H,2,5,12-15,20H2,1H3
InChIKeyQXCVMIXZCKRIFY-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.70
Rot. Bonds10

About 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline

4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline (PubChem CID 67652170) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline
PubChem CID67652170
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline
SMILESCCCc1ccccc1OCCOCCOc1ccc(N)cc1
InChIInChI=1S/C19H25NO3/c1-2-5-16-6-3-4-7-19(16)23-15-13-21-12-14-22-18-10-8-17(20)9-11-18/h3-4,6-11H,2,5,12-15,20H2,1H3
InChIKeyQXCVMIXZCKRIFY-UHFFFAOYSA-N
XLogP3.70
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.70
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'}

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Related Compounds

2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
4-[3-(2-propylphenoxy)propoxy]benzenesulfonamide
CID 69222529
4-(2-pentoxyethoxy)aniline
CID 43274923
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
4-(2-ethoxyethoxy)aniline
CID 16641299
4-(2-heptoxyethoxy)aniline
CID 43366149
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;4-[3-(2-propylphenoxy)propoxy]benzenesulfonamide
CID 69222528
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline?
The IUPAC name of 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline (CID 67652170) is 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline.
What is the SMILES notation for 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline?
The canonical SMILES for 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline is CCCc1ccccc1OCCOCCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline?
The InChIKey is QXCVMIXZCKRIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-5-16-6-3-4-7-19(16)23-15-13-21-12-14-22-18-10-8-17(20)9-11-18/h3-4,6-11H,2,5,12-15,20H2,1H3.
What are the key properties of 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline?
4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline has a molecular weight of 315.41 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline is sourced from PubChem (CID 67652170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).