2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone

C17H17NO2 — CID 114520628

IUPAC2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESNc1cccc(CC(=O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H17NO2/c18-14-3-1-2-12(10-14)11-17(19)13-4-6-15(7-5-13)20-16-8-9-16/h1-7,10,16H,8-9,11,18H2
InChIKeyMPNYAJXMBLMMFX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.24
Rot. Bonds5

About 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone

2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone (PubChem CID 114520628) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
PubChem CID114520628
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESNc1cccc(CC(=O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H17NO2/c18-14-3-1-2-12(10-14)11-17(19)13-4-6-15(7-5-13)20-16-8-9-16/h1-7,10,16H,8-9,11,18H2
InChIKeyMPNYAJXMBLMMFX-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.24
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-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
CID 55083999
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
2-(3-cyclopentyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145169
ethyl 2-(3-cyclopropyloxyphenyl)acetate
CID 114522675
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374
1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 105134381
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518830

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone (CID 114520628) is 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone is Nc1cccc(CC(=O)c2ccc(OC3CC3)cc2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
The InChIKey is MPNYAJXMBLMMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c18-14-3-1-2-12(10-14)11-17(19)13-4-6-15(7-5-13)20-16-8-9-16/h1-7,10,16H,8-9,11,18H2.
What are the key properties of 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone is sourced from PubChem (CID 114520628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).