4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline

C14H23NO2 — CID 112587191

IUPAC4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
SMILESCC(C)(C)OCCOCCc1ccc(N)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-11-10-16-9-8-12-4-6-13(15)7-5-12/h4-7H,8-11,15H2,1-3H3
InChIKeyIYXWOZXJELOQLH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds6

About 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline

4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline (PubChem CID 112587191) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
PubChem CID112587191
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
SMILESCC(C)(C)OCCOCCc1ccc(N)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-11-10-16-9-8-12-4-6-13(15)7-5-12/h4-7H,8-11,15H2,1-3H3
InChIKeyIYXWOZXJELOQLH-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
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'}

Analyze 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]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

1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene
CID 140908011
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
4-[2-(trifluoromethoxy)ethyl]aniline
CID 75530474
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 115941805
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]benzene
CID 155931293
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide
CID 162202793
4-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine
CID 20768993
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline
CID 126498667
2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
The IUPAC name of 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline (CID 112587191) is 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline.
What is the SMILES notation for 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
The canonical SMILES for 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline is CC(C)(C)OCCOCCc1ccc(N)cc1.
What is the InChIKey of 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
The InChIKey is IYXWOZXJELOQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)17-11-10-16-9-8-12-4-6-13(15)7-5-12/h4-7H,8-11,15H2,1-3H3.
What are the key properties of 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline has a molecular weight of 237.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline is sourced from PubChem (CID 112587191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).