4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline

C17H21NO2 — CID 83001907

IUPAC4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
SMILESCc1cc(C)cc(Oc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C17H21NO2/c1-11(2)19-17-10-14(5-6-16(17)18)20-15-8-12(3)7-13(4)9-15/h5-11H,18H2,1-4H3
InChIKeyNUDULBFKSWRIMD-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.47
Rot. Bonds4

About 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline

4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline (PubChem CID 83001907) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
PubChem CID83001907
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
SMILESCc1cc(C)cc(Oc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C17H21NO2/c1-11(2)19-17-10-14(5-6-16(17)18)20-15-8-12(3)7-13(4)9-15/h5-11H,18H2,1-4H3
InChIKeyNUDULBFKSWRIMD-UHFFFAOYSA-N
XLogP4.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
CID 83002698
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
2,4-bis(3-methylphenoxy)aniline
CID 34173748
4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline
CID 83002906
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-amino-3-propan-2-yloxyphenol
CID 69025591
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline (CID 83001907) is 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline is Cc1cc(C)cc(Oc2ccc(N)c(OC(C)C)c2)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline?
The InChIKey is NUDULBFKSWRIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)19-17-10-14(5-6-16(17)18)20-15-8-12(3)7-13(4)9-15/h5-11H,18H2,1-4H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline?
4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline has a molecular weight of 271.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83001907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).