2-(2-aminopropan-2-yl)-4-methylbenzaldehyde

C11H15NO — CID 117277629

IUPAC2-(2-aminopropan-2-yl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(C(C)(C)N)c1
InChIInChI=1S/C11H15NO/c1-8-4-5-9(7-13)10(6-8)11(2,3)12/h4-7H,12H2,1-3H3
InChIKeyFHSBHMSDCDWWEV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.00
Rot. Bonds2

About 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde

2-(2-aminopropan-2-yl)-4-methylbenzaldehyde (PubChem CID 117277629) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-4-methylbenzaldehyde
PubChem CID117277629
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(2-aminopropan-2-yl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(C(C)(C)N)c1
InChIInChI=1S/C11H15NO/c1-8-4-5-9(7-13)10(6-8)11(2,3)12/h4-7H,12H2,1-3H3
InChIKeyFHSBHMSDCDWWEV-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde
CID 143801247
2-iodyl-4-methylbenzaldehyde
CID 172555476
CID 143927164
CID 143927164
2-ethyl-4-methylbenzaldehyde
CID 58929233
2-(2-chloro-4-methylphenyl)propan-2-amine
CID 83696800
2-(2,5-dimethylphenyl)-2-methylpropanal
CID 82074913
2-[(E)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)ethenyl]-5-methylbenzaldehyde
CID 87415054
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966
2,5-dimethylbenzaldehyde;ethane
CID 142106726
2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
CID 117298714
2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
CID 107289665
3-(2-formyl-4-methylphenyl)-3-methylbutanoic acid
CID 117314279

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde?
The IUPAC name of 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde (CID 117277629) is 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde?
The canonical SMILES for 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde is Cc1ccc(C=O)c(C(C)(C)N)c1.
What is the InChIKey of 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde?
The InChIKey is FHSBHMSDCDWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-9(7-13)10(6-8)11(2,3)12/h4-7H,12H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde?
2-(2-aminopropan-2-yl)-4-methylbenzaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-4-methylbenzaldehyde is sourced from PubChem (CID 117277629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).