2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one

C17H19NO2 — CID 46307509

IUPAC2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(N)c2)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-7-8-16(12(2)9-11)17(19)13(3)20-15-6-4-5-14(18)10-15/h4-10,13H,18H2,1-3H3
InChIKeyCNRCGWZXSIMEDM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one

2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one (PubChem CID 46307509) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one
PubChem CID46307509
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(N)c2)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-7-8-16(12(2)9-11)17(19)13(3)20-15-6-4-5-14(18)10-15/h4-10,13H,18H2,1-3H3
InChIKeyCNRCGWZXSIMEDM-UHFFFAOYSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.54
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-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)propan-1-one
CID 46307593
2-(3-aminophenoxy)propanamide
CID 43115971
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609
2,2,2-trifluoroethyl (2S)-2-(3-aminophenoxy)propanoate
CID 100616854
(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
CID 133164899
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
CID 46307359

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one (CID 46307509) is 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2cccc(N)c2)c(C)c1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one?
The InChIKey is CNRCGWZXSIMEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-8-16(12(2)9-11)17(19)13(3)20-15-6-4-5-14(18)10-15/h4-10,13H,18H2,1-3H3.
What are the key properties of 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one?
2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 46307509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).