2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline

C18H23NO2 — CID 83005527

IUPAC2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
SMILESCc1cc(C)c(C)c(Oc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C18H23NO2/c1-11(2)20-18-10-15(6-7-16(18)19)21-17-9-12(3)8-13(4)14(17)5/h6-11H,19H2,1-5H3
InChIKeyFJAKMQYIIFQMGS-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.77
Rot. Bonds4

About 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline

2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline (PubChem CID 83005527) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
PubChem CID83005527
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
SMILESCc1cc(C)c(C)c(Oc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C18H23NO2/c1-11(2)20-18-10-15(6-7-16(18)19)21-17-9-12(3)8-13(4)14(17)5/h6-11H,19H2,1-5H3
InChIKeyFJAKMQYIIFQMGS-UHFFFAOYSA-N
XLogP4.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.77
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
4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
CID 83002698
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
1-[4-(bromomethyl)-3-methylphenoxy]-2,3,5-trimethylbenzene
CID 107087431
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
4-(2,3-dimethylphenoxy)-2-methoxyaniline
CID 63677998
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
4-amino-3-propan-2-yloxyphenol
CID 69025591
4-bromo-2-propan-2-yloxyaniline
CID 50998232
2,4-bis(3-methylphenoxy)aniline
CID 34173748

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline?
The IUPAC name of 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline (CID 83005527) is 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline.
What is the SMILES notation for 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline?
The canonical SMILES for 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline is Cc1cc(C)c(C)c(Oc2ccc(N)c(OC(C)C)c2)c1.
What is the InChIKey of 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline?
The InChIKey is FJAKMQYIIFQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11(2)20-18-10-15(6-7-16(18)19)21-17-9-12(3)8-13(4)14(17)5/h6-11H,19H2,1-5H3.
What are the key properties of 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline?
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline is sourced from PubChem (CID 83005527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).