2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde

C16H17NO — CID 116908630

IUPAC2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde
SMILESCN(C)C(C=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-17(2)16(12-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3
InChIKeyWNMLYMWAXPHVSM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.16
Rot. Bonds4

About 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde

2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde (PubChem CID 116908630) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde
PubChem CID116908630
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde
SMILESCN(C)C(C=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-17(2)16(12-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3
InChIKeyWNMLYMWAXPHVSM-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-2-naphthalen-2-ylacetaldehyde
CID 116908733
2-(methylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116954169
2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine
CID 116907421
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 123528340
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
1,1'-biphenyl;N,N-dimethylmethanamine;oxophosphane
CID 174729420
2-(dimethylamino)-2-(4-phenylphenyl)ethanedithioic acid
CID 102586072
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
(2R)-N,N-dimethyl-2-(4-phenylphenyl)propan-1-amine
CID 97356699
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde
CID 116908648

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde?
The IUPAC name of 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde (CID 116908630) is 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde.
What is the SMILES notation for 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde?
The canonical SMILES for 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde is CN(C)C(C=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde?
The InChIKey is WNMLYMWAXPHVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17(2)16(12-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde?
2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde is sourced from PubChem (CID 116908630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).