2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde

C12H17NO2 — CID 116939012

IUPAC2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde
SMILESCOc1ccc(C(C)C)cc1C(N)C=O
InChIInChI=1S/C12H17NO2/c1-8(2)9-4-5-12(15-3)10(6-9)11(13)7-14/h4-8,11H,13H2,1-3H3
InChIKeyGLKHTRBMEGDNEC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde

2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde (PubChem CID 116939012) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde
PubChem CID116939012
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde
SMILESCOc1ccc(C(C)C)cc1C(N)C=O
InChIInChI=1S/C12H17NO2/c1-8(2)9-4-5-12(15-3)10(6-9)11(13)7-14/h4-8,11H,13H2,1-3H3
InChIKeyGLKHTRBMEGDNEC-UHFFFAOYSA-N
XLogP2.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.02
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-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde?
The IUPAC name of 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde (CID 116939012) is 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde is COc1ccc(C(C)C)cc1C(N)C=O.
What is the InChIKey of 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde?
The InChIKey is GLKHTRBMEGDNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)9-4-5-12(15-3)10(6-9)11(13)7-14/h4-8,11H,13H2,1-3H3.
What are the key properties of 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde?
2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde has a molecular weight of 207.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde is sourced from PubChem (CID 116939012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).