2-(1-aminocyclopropyl)-4-methoxybenzaldehyde

C11H13NO2 — CID 117282260

IUPAC2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(C2(N)CC2)c1
InChIInChI=1S/C11H13NO2/c1-14-9-3-2-8(7-13)10(6-9)11(12)4-5-11/h2-3,6-7H,4-5,12H2,1H3
InChIKeyCAAMVFOZXLTZKP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.46
Rot. Bonds3

About 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde

2-(1-aminocyclopropyl)-4-methoxybenzaldehyde (PubChem CID 117282260) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
PubChem CID117282260
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(C2(N)CC2)c1
InChIInChI=1S/C11H13NO2/c1-14-9-3-2-8(7-13)10(6-9)11(12)4-5-11/h2-3,6-7H,4-5,12H2,1H3
InChIKeyCAAMVFOZXLTZKP-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
CID 117293526
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65313238
2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
CID 117293459
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804
5-(1-aminocyclopropyl)-2-methoxybenzaldehyde
CID 167171033
2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
CID 117315954
(2-formyl-5-methoxyphenyl)-trimethylazanium
CID 57461915
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
4-methoxy-2-(triaminomethoxy)benzaldehyde
CID 89196601
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde?
The IUPAC name of 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde (CID 117282260) is 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde is COc1ccc(C=O)c(C2(N)CC2)c1.
What is the InChIKey of 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde?
The InChIKey is CAAMVFOZXLTZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-9-3-2-8(7-13)10(6-9)11(12)4-5-11/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde?
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 117282260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).