3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one

C13H17NO2 — CID 116608794

IUPAC3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CC(N)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-16-11-6-4-10(5-7-11)13(15)8-12(14)9-2-3-9/h4-7,9,12H,2-3,8,14H2,1H3
InChIKeyBNJIVSTTZUTWMV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.01
Rot. Bonds5

About 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one

3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one (PubChem CID 116608794) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
PubChem CID116608794
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CC(N)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-16-11-6-4-10(5-7-11)13(15)8-12(14)9-2-3-9/h4-7,9,12H,2-3,8,14H2,1H3
InChIKeyBNJIVSTTZUTWMV-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
3-cyclohexyl-3-iodo-1-(4-methoxyphenyl)propan-1-one
CID 22934298
3-bromo-3-cyclohexyl-1-(4-methoxyphenyl)propan-1-one
CID 22934209
3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 116608834
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
5-(4-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759684
dimethyl 2-[1-(4-methoxyphenyl)-1,4-dioxopentan-3-yl]propanedioate
CID 122393832
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120686703
3-bromo-1-(4-methoxyphenyl)-4,4-dimethylpentan-1-one
CID 22934308

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one (CID 116608794) is 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CC(N)C2CC2)cc1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is BNJIVSTTZUTWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-11-6-4-10(5-7-11)13(15)8-12(14)9-2-3-9/h4-7,9,12H,2-3,8,14H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one?
3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 116608794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).