3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one

C18H21NO2 — CID 116603294

IUPAC3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccccc1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C18H21NO2/c1-13(2)21-18-9-4-3-8-16(18)17(20)11-10-14-6-5-7-15(19)12-14/h3-9,12-13H,10-11,19H2,1-2H3
InChIKeyGNIPARNWOKSEKX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.87
Rot. Bonds6

About 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one

3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one (PubChem CID 116603294) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one
PubChem CID116603294
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccccc1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C18H21NO2/c1-13(2)21-18-9-4-3-8-16(18)17(20)11-10-14-6-5-7-15(19)12-14/h3-9,12-13H,10-11,19H2,1-2H3
InChIKeyGNIPARNWOKSEKX-UHFFFAOYSA-N
XLogP3.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.87
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

3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105119933
3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one
CID 116603498
3-(3-aminophenyl)-1-(1-benzothiophen-7-yl)propan-1-one
CID 116603355
3-(3-aminophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114670810
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one
CID 105128641
3-(3-aminophenyl)-1-isoquinolin-8-ylpropan-1-one
CID 103133503
pentan-3-yl 3-(3-aminophenyl)propanoate
CID 80701081
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308
2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone
CID 115788644
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one (CID 116603294) is 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1ccccc1C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is GNIPARNWOKSEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)21-18-9-4-3-8-16(18)17(20)11-10-14-6-5-7-15(19)12-14/h3-9,12-13H,10-11,19H2,1-2H3.
What are the key properties of 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one?
3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 116603294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).