2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde

C18H21NO — CID 115223529

IUPAC2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde
SMILESCC(C)(CNCC=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,14-19-12-13-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13,19H,12,14H2,1-2H3
InChIKeySJEXXNOCTRPHEO-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.42
Rot. Bonds6

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

2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde (PubChem CID 115223529) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde
PubChem CID115223529
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde
SMILESCC(C)(CNCC=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,14-19-12-13-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13,19H,12,14H2,1-2H3
InChIKeySJEXXNOCTRPHEO-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(methoxymethyl)-2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 115259169
2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde
CID 115223542
2-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223528
2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 56687090
(E)-4-[[2-(4-chlorophenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237399
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
N-[2-(4-phenylphenyl)butan-2-yloxy]formamide
CID 54498717
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
3-[(2-methyl-2-phenylpropyl)amino]propane-1-thiol
CID 115225308
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde?
The IUPAC name of 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde (CID 115223529) is 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde?
The canonical SMILES for 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde is CC(C)(CNCC=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde?
The InChIKey is SJEXXNOCTRPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,14-19-12-13-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13,19H,12,14H2,1-2H3.
What are the key properties of 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde?
2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde has a molecular weight of 267.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde is sourced from PubChem (CID 115223529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).