2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde

C15H23NO2 — CID 115223542

IUPAC2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde
SMILESCC(C)Oc1ccc(C(C)(C)CNCC=O)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)18-14-7-5-13(6-8-14)15(3,4)11-16-9-10-17/h5-8,10,12,16H,9,11H2,1-4H3
InChIKeyZSLOZBVLFXBSPC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.54
Rot. Bonds7

About 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde

2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde (PubChem CID 115223542) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde
PubChem CID115223542
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde
SMILESCC(C)Oc1ccc(C(C)(C)CNCC=O)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)18-14-7-5-13(6-8-14)15(3,4)11-16-9-10-17/h5-8,10,12,16H,9,11H2,1-4H3
InChIKeyZSLOZBVLFXBSPC-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]methanethiol
CID 115228565
3-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]propanenitrile
CID 115231351
2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde
CID 115223529
2,4-dimethyl-N-propan-2-yl-4-(4-propan-2-yloxyphenyl)pentan-2-amine
CID 166818197
1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene
CID 64715385
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
2-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223528
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde?
The IUPAC name of 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde (CID 115223542) is 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde?
The canonical SMILES for 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde is CC(C)Oc1ccc(C(C)(C)CNCC=O)cc1.
What is the InChIKey of 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde?
The InChIKey is ZSLOZBVLFXBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)18-14-7-5-13(6-8-14)15(3,4)11-16-9-10-17/h5-8,10,12,16H,9,11H2,1-4H3.
What are the key properties of 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde?
2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde has a molecular weight of 249.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde is sourced from PubChem (CID 115223542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).