3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline

C18H23NO2 — CID 80753185

IUPAC3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
SMILESCC(C)Oc1cc(N)cc(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO2/c1-12(2)14-5-7-16(8-6-14)21-18-10-15(19)9-17(11-18)20-13(3)4/h5-13H,19H2,1-4H3
InChIKeyQRYLMBTZGVJCCS-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.97
Rot. Bonds5

About 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline

3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline (PubChem CID 80753185) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
PubChem CID80753185
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
SMILESCC(C)Oc1cc(N)cc(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO2/c1-12(2)14-5-7-16(8-6-14)21-18-10-15(19)9-17(11-18)20-13(3)4/h5-13H,19H2,1-4H3
InChIKeyQRYLMBTZGVJCCS-UHFFFAOYSA-N
XLogP4.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)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-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
3-propan-2-yl-5-propan-2-yloxyaniline
CID 131411497
3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
CID 80748608
3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
CID 80748281
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
3-(4-bromo-2-methylphenoxy)-5-propan-2-yloxyaniline
CID 80749146
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63441254
1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
CID 148598428
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline?
The IUPAC name of 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline (CID 80753185) is 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline is CC(C)Oc1cc(N)cc(Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline?
The InChIKey is QRYLMBTZGVJCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(2)14-5-7-16(8-6-14)21-18-10-15(19)9-17(11-18)20-13(3)4/h5-13H,19H2,1-4H3.
What are the key properties of 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline?
3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 80753185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).