2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one

C19H23NO2 — CID 46307783

IUPAC2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
SMILESCCc1ccc(C(=O)C(CC)Oc2ccc(C)cc2N)cc1
InChIInChI=1S/C19H23NO2/c1-4-14-7-9-15(10-8-14)19(21)17(5-2)22-18-11-6-13(3)12-16(18)20/h6-12,17H,4-5,20H2,1-3H3
InChIKeyOADUDPZIYPXDMO-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one

2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one (PubChem CID 46307783) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
PubChem CID46307783
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
SMILESCCc1ccc(C(=O)C(CC)Oc2ccc(C)cc2N)cc1
InChIInChI=1S/C19H23NO2/c1-4-14-7-9-15(10-8-14)19(21)17(5-2)22-18-11-6-13(3)12-16(18)20/h6-12,17H,4-5,20H2,1-3H3
InChIKeyOADUDPZIYPXDMO-UHFFFAOYSA-N
XLogP4.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.18
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-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
2-(2-amino-4-methylphenoxy)-1-naphthalen-2-ylbutan-1-one
CID 46307916
2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 46307920
2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 46307864
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
CID 46307359
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one
CID 46307367
2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one
CID 62031979
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60623563
1-(2-amino-4-methylphenoxy)propane-1-sulfonic acid
CID 87293830

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one (CID 46307783) is 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one is CCc1ccc(C(=O)C(CC)Oc2ccc(C)cc2N)cc1.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one?
The InChIKey is OADUDPZIYPXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-14-7-9-15(10-8-14)19(21)17(5-2)22-18-11-6-13(3)12-16(18)20/h6-12,17H,4-5,20H2,1-3H3.
What are the key properties of 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one?
2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one has a molecular weight of 297.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one is sourced from PubChem (CID 46307783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).