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

C16H19NO — CID 155433623

IUPAC4-methyl-3-(4-propan-2-ylphenoxy)aniline
SMILESCc1ccc(N)cc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H19NO/c1-11(2)13-5-8-15(9-6-13)18-16-10-14(17)7-4-12(16)3/h4-11H,17H2,1-3H3
InChIKeyDXGYXIWFBQOLEK-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.49
Rot. Bonds3

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

4-methyl-3-(4-propan-2-ylphenoxy)aniline (PubChem CID 155433623) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-3-(4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name4-methyl-3-(4-propan-2-ylphenoxy)aniline
PubChem CID155433623
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-methyl-3-(4-propan-2-ylphenoxy)aniline
SMILESCc1ccc(N)cc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H19NO/c1-11(2)13-5-8-15(9-6-13)18-16-10-14(17)7-4-12(16)3/h4-11H,17H2,1-3H3
InChIKeyDXGYXIWFBQOLEK-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.49
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

3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
CID 26190303
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
5-amino-2-(2-methyl-5-propan-2-ylphenoxy)benzonitrile
CID 63458751
4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
CID 141165190
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
3-[4-[2-[3-[2-[4-(5-amino-2-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]-4-methylaniline
CID 139685602
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propan-2-ylphenoxy)aniline?
The IUPAC name of 4-methyl-3-(4-propan-2-ylphenoxy)aniline (CID 155433623) is 4-methyl-3-(4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 4-methyl-3-(4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 4-methyl-3-(4-propan-2-ylphenoxy)aniline is Cc1ccc(N)cc1Oc1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-3-(4-propan-2-ylphenoxy)aniline?
The InChIKey is DXGYXIWFBQOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)13-5-8-15(9-6-13)18-16-10-14(17)7-4-12(16)3/h4-11H,17H2,1-3H3.
What are the key properties of 4-methyl-3-(4-propan-2-ylphenoxy)aniline?
4-methyl-3-(4-propan-2-ylphenoxy)aniline has a molecular weight of 241.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 155433623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).