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

C17H21NO — CID 43349562

IUPAC5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
SMILESCc1ccc(Oc2ccc(C(C)C)c(C)c2)c(N)c1
InChIInChI=1S/C17H21NO/c1-11(2)15-7-6-14(10-13(15)4)19-17-8-5-12(3)9-16(17)18/h5-11H,18H2,1-4H3
InChIKeyFUVRUEMTKSEEAM-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.80
Rot. Bonds3

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

5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline (PubChem CID 43349562) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
PubChem CID43349562
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
SMILESCc1ccc(Oc2ccc(C(C)C)c(C)c2)c(N)c1
InChIInChI=1S/C17H21NO/c1-11(2)15-7-6-14(10-13(15)4)19-17-8-5-12(3)9-16(17)18/h5-11H,18H2,1-4H3
InChIKeyFUVRUEMTKSEEAM-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
5-methyl-2-naphthalen-2-yloxyaniline
CID 26189514
4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 66102111
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63815601
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
2-amino-5-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 115499738
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
2-(4-chloro-3-fluorophenoxy)-5-methylaniline
CID 82716538
2-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
2-amino-5-(5-methyl-2-propan-2-ylphenoxy)benzamide
CID 61311722

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The IUPAC name of 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline (CID 43349562) is 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline is Cc1ccc(Oc2ccc(C(C)C)c(C)c2)c(N)c1.
What is the InChIKey of 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The InChIKey is FUVRUEMTKSEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11(2)15-7-6-14(10-13(15)4)19-17-8-5-12(3)9-16(17)18/h5-11H,18H2,1-4H3.
What are the key properties of 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 43349562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).