2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde

C12H17NO2 — CID 178062339

IUPAC2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
SMILESCNc1ccc(C(C)C)cc1OCC=O
InChIInChI=1S/C12H17NO2/c1-9(2)10-4-5-11(13-3)12(8-10)15-7-6-14/h4-6,8-9,13H,7H2,1-3H3
InChIKeyJCEMYYFLGMLRLS-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.43
Rot. Bonds5

About 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde

2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde (PubChem CID 178062339) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
PubChem CID178062339
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
SMILESCNc1ccc(C(C)C)cc1OCC=O
InChIInChI=1S/C12H17NO2/c1-9(2)10-4-5-11(13-3)12(8-10)15-7-6-14/h4-6,8-9,13H,7H2,1-3H3
InChIKeyJCEMYYFLGMLRLS-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.43
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-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 102239123
[6-(methylamino)-7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl] benzenesulfonate
CID 102239309
2-(4-chlorobut-2-enoxy)-1-methyl-4-propan-2-ylbenzene
CID 77051063
4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110625
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde?
The IUPAC name of 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde (CID 178062339) is 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde?
The canonical SMILES for 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde is CNc1ccc(C(C)C)cc1OCC=O.
What is the InChIKey of 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde?
The InChIKey is JCEMYYFLGMLRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)10-4-5-11(13-3)12(8-10)15-7-6-14/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde?
2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde has a molecular weight of 207.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde is sourced from PubChem (CID 178062339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).