(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone

C14H19NO2 — CID 116924282

IUPAC(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N)CC2)cc1C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)11-8-10(4-5-12(11)17-3)13(16)14(15)6-7-14/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyXKHYZUZJGXLRMU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.49
Rot. Bonds4

About (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone

(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone (PubChem CID 116924282) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
PubChem CID116924282
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N)CC2)cc1C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)11-8-10(4-5-12(11)17-3)13(16)14(15)6-7-14/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyXKHYZUZJGXLRMU-UHFFFAOYSA-N
XLogP2.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116924291
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
2-amino-3-(4-methoxy-3-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920480
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309
1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94275905
2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918505
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone (CID 116924282) is (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone is COc1ccc(C(=O)C2(N)CC2)cc1C(C)C.
What is the InChIKey of (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
The InChIKey is XKHYZUZJGXLRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)11-8-10(4-5-12(11)17-3)13(16)14(15)6-7-14/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of (1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.49, 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-3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 116924282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).