4-(3-methylphenoxy)-2-propan-2-yloxyaniline

C16H19NO2 — CID 83001982

IUPAC4-(3-methylphenoxy)-2-propan-2-yloxyaniline
SMILESCc1cccc(Oc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C16H19NO2/c1-11(2)18-16-10-14(7-8-15(16)17)19-13-6-4-5-12(3)9-13/h4-11H,17H2,1-3H3
InChIKeyFJYUNMUDYQYTFH-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.16
Rot. Bonds4

About 4-(3-methylphenoxy)-2-propan-2-yloxyaniline

4-(3-methylphenoxy)-2-propan-2-yloxyaniline (PubChem CID 83001982) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3-methylphenoxy)-2-propan-2-yloxyaniline
PubChem CID83001982
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(3-methylphenoxy)-2-propan-2-yloxyaniline
SMILESCc1cccc(Oc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C16H19NO2/c1-11(2)18-16-10-14(7-8-15(16)17)19-13-6-4-5-12(3)9-13/h4-11H,17H2,1-3H3
InChIKeyFJYUNMUDYQYTFH-UHFFFAOYSA-N
XLogP4.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.16
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-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
CID 83001907
2,4-bis(3-methylphenoxy)aniline
CID 34173748
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
CID 83002698
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2,4-bis(3-methylphenoxy)phenol
CID 139941781
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3-methylphenoxy)-2-propan-2-yloxyaniline (CID 83001982) is 4-(3-methylphenoxy)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3-methylphenoxy)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3-methylphenoxy)-2-propan-2-yloxyaniline is Cc1cccc(Oc2ccc(N)c(OC(C)C)c2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-2-propan-2-yloxyaniline?
The InChIKey is FJYUNMUDYQYTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)18-16-10-14(7-8-15(16)17)19-13-6-4-5-12(3)9-13/h4-11H,17H2,1-3H3.
What are the key properties of 4-(3-methylphenoxy)-2-propan-2-yloxyaniline?
4-(3-methylphenoxy)-2-propan-2-yloxyaniline has a molecular weight of 257.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83001982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).