2-(methylamino)-5-propan-2-yloxybenzaldehyde

C11H15NO2 — CID 121219252

IUPAC2-(methylamino)-5-propan-2-yloxybenzaldehyde
SMILESCNc1ccc(OC(C)C)cc1C=O
InChIInChI=1S/C11H15NO2/c1-8(2)14-10-4-5-11(12-3)9(6-10)7-13/h4-8,12H,1-3H3
InChIKeyCKBPFPZHQKCEOV-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.33
Rot. Bonds4

About 2-(methylamino)-5-propan-2-yloxybenzaldehyde

2-(methylamino)-5-propan-2-yloxybenzaldehyde (PubChem CID 121219252) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(methylamino)-5-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name2-(methylamino)-5-propan-2-yloxybenzaldehyde
PubChem CID121219252
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(methylamino)-5-propan-2-yloxybenzaldehyde
SMILESCNc1ccc(OC(C)C)cc1C=O
InChIInChI=1S/C11H15NO2/c1-8(2)14-10-4-5-11(12-3)9(6-10)7-13/h4-8,12H,1-3H3
InChIKeyCKBPFPZHQKCEOV-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbaldehyde
CID 143687937
acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline
CID 143373878
N-methyl-4-propan-2-yloxyaniline
CID 18002910
2-bromo-5-(1-fluoroethoxy)benzaldehyde
CID 177207164
N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
CID 102213388
N-(2-formyl-4-methoxyphenyl)methanesulfonamide
CID 131493986
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049
N-methyl-7-propan-2-yloxyquinolin-2-amine
CID 156731577
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-propan-2-yloxybenzaldehyde?
The IUPAC name of 2-(methylamino)-5-propan-2-yloxybenzaldehyde (CID 121219252) is 2-(methylamino)-5-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 2-(methylamino)-5-propan-2-yloxybenzaldehyde?
The canonical SMILES for 2-(methylamino)-5-propan-2-yloxybenzaldehyde is CNc1ccc(OC(C)C)cc1C=O.
What is the InChIKey of 2-(methylamino)-5-propan-2-yloxybenzaldehyde?
The InChIKey is CKBPFPZHQKCEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)14-10-4-5-11(12-3)9(6-10)7-13/h4-8,12H,1-3H3.
What are the key properties of 2-(methylamino)-5-propan-2-yloxybenzaldehyde?
2-(methylamino)-5-propan-2-yloxybenzaldehyde has a molecular weight of 193.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 121219252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).