(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone

C15H21NO2 — CID 116924291

IUPAC(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(N)CC2)cc1C(C)C
InChIInChI=1S/C15H21NO2/c1-9(2)11-8-12(10(3)7-13(11)18-4)14(17)15(16)5-6-15/h7-9H,5-6,16H2,1-4H3
InChIKeyKREWWTMMSDQRSG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds4

About (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone

(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone (PubChem CID 116924291) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
PubChem CID116924291
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(N)CC2)cc1C(C)C
InChIInChI=1S/C15H21NO2/c1-9(2)11-8-12(10(3)7-13(11)18-4)14(17)15(16)5-6-15/h7-9H,5-6,16H2,1-4H3
InChIKeyKREWWTMMSDQRSG-UHFFFAOYSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 95470469
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822637
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone (CID 116924291) is (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone is COc1cc(C)c(C(=O)C2(N)CC2)cc1C(C)C.
What is the InChIKey of (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The InChIKey is KREWWTMMSDQRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9(2)11-8-12(10(3)7-13(11)18-4)14(17)15(16)5-6-15/h7-9H,5-6,16H2,1-4H3.
What are the key properties of (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 116924291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).