2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde

C12H15NO2 — CID 117293526

IUPAC2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CC2(N)CC2)c1
InChIInChI=1S/C12H15NO2/c1-15-11-3-2-9(8-14)10(6-11)7-12(13)4-5-12/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyGEIRVUUUSMVFHP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.54
Rot. Bonds4

About 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde

2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde (PubChem CID 117293526) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
PubChem CID117293526
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CC2(N)CC2)c1
InChIInChI=1S/C12H15NO2/c1-15-11-3-2-9(8-14)10(6-11)7-12(13)4-5-12/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyGEIRVUUUSMVFHP-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.54
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-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
CID 117282260
2-(2-aminooxyethyl)-4-methoxybenzaldehyde
CID 117285082
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
CID 10935159
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene
CID 143510544
acetic acid;(2-formyl-5-methoxyphenyl)methyl hydrogen sulfate
CID 88528450
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
(2-formyl-5-methoxyphenyl)-trimethylazanium
CID 57461915
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde (CID 117293526) is 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)c(CC2(N)CC2)c1.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde?
The InChIKey is GEIRVUUUSMVFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11-3-2-9(8-14)10(6-11)7-12(13)4-5-12/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde?
2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 117293526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).