1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone

C18H21NO2 — CID 104529321

IUPAC1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)cc1N
InChIInChI=1S/C18H21NO2/c1-11(2)14-6-5-12(3)18(9-14)21-15-7-8-16(13(4)20)17(19)10-15/h5-11H,19H2,1-4H3
InChIKeySGOADCKTYAWBLM-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.70
Rot. Bonds4

About 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone

1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone (PubChem CID 104529321) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
PubChem CID104529321
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)cc1N
InChIInChI=1S/C18H21NO2/c1-11(2)14-6-5-12(3)18(9-14)21-15-7-8-16(13(4)20)17(19)10-15/h5-11H,19H2,1-4H3
InChIKeySGOADCKTYAWBLM-UHFFFAOYSA-N
XLogP4.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.70
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

2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
CID 26190303
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride
CID 140833472
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone
CID 104613187
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
CID 104529391
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
1-[3-bromo-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63534112
1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63533848

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone (CID 104529321) is 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)cc1N.
What is the InChIKey of 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
The InChIKey is SGOADCKTYAWBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11(2)14-6-5-12(3)18(9-14)21-15-7-8-16(13(4)20)17(19)10-15/h5-11H,19H2,1-4H3.
What are the key properties of 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone has a molecular weight of 283.37 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone is sourced from PubChem (CID 104529321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).