1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone

C18H19NO2 — CID 116611695

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C18H19NO2/c1-21-16-4-2-3-13(11-16)12-17(20)18(9-10-18)14-5-7-15(19)8-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyOKUDHXHROUDEPK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.12
Rot. Bonds5

About 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone

1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone (PubChem CID 116611695) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone
PubChem CID116611695
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C18H19NO2/c1-21-16-4-2-3-13(11-16)12-17(20)18(9-10-18)14-5-7-15(19)8-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyOKUDHXHROUDEPK-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.12
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

1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone
CID 116611713
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone
CID 116750169
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(3-methoxyphenyl)phenyl]ethanone
CID 123803503
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
CID 116614341
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-ethyl-3-(3-methoxyphenyl)phenyl]ethanone
CID 123964137
N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 113274875
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052471
(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
CID 43469136
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone (CID 116611695) is 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)C2(c3ccc(N)cc3)CC2)c1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is OKUDHXHROUDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-16-4-2-3-13(11-16)12-17(20)18(9-10-18)14-5-7-15(19)8-6-14/h2-8,11H,9-10,12,19H2,1H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone?
1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 116611695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).