2-(tert-butylamino)-2-phenylacetaldehyde

C12H17NO — CID 178029688

IUPAC2-(tert-butylamino)-2-phenylacetaldehyde
SMILESCC(C)(C)NC(C=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-12(2,3)13-11(9-14)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChIKeyQFRHFTLVPVBMNW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.31
Rot. Bonds3

About 2-(tert-butylamino)-2-phenylacetaldehyde

2-(tert-butylamino)-2-phenylacetaldehyde (PubChem CID 178029688) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(tert-butylamino)-2-phenylacetaldehyde
PubChem CID178029688
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(tert-butylamino)-2-phenylacetaldehyde
SMILESCC(C)(C)NC(C=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-12(2,3)13-11(9-14)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChIKeyQFRHFTLVPVBMNW-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.31
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

methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide
CID 155715793
2-(ethenylamino)-2-phenylacetaldehyde
CID 143356173
methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
CID 144634454
(tert-butylamino)-phenylmethanol;ethane
CID 143300021
N-(1,1-diphenylpropan-2-yl)-2-methylpropan-2-amine
CID 14902890
2-(methylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116954169
1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070986
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
2-methyl-3-phenylbutanal
CID 3024886
1-[2-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethenyl]-2-methyl-3-(2-oxo-1-phenylethyl)guanidine
CID 142371184
4-methyl-2-phenylpent-3-enal
CID 19361032
4,4-dichloro-2-methyl-3-phenylbutanal
CID 11128135

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-phenylacetaldehyde?
The IUPAC name of 2-(tert-butylamino)-2-phenylacetaldehyde (CID 178029688) is 2-(tert-butylamino)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(tert-butylamino)-2-phenylacetaldehyde?
The canonical SMILES for 2-(tert-butylamino)-2-phenylacetaldehyde is CC(C)(C)NC(C=O)c1ccccc1.
What is the InChIKey of 2-(tert-butylamino)-2-phenylacetaldehyde?
The InChIKey is QFRHFTLVPVBMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)13-11(9-14)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3.
What are the key properties of 2-(tert-butylamino)-2-phenylacetaldehyde?
2-(tert-butylamino)-2-phenylacetaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-phenylacetaldehyde is sourced from PubChem (CID 178029688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).