2-[4-(dimethylamino)phenyl]acetaldehyde

C10H13NO — CID 15114335

IUPAC2-[4-(dimethylamino)phenyl]acetaldehyde
SMILESCN(C)c1ccc(CC=O)cc1
InChIInChI=1S/C10H13NO/c1-11(2)10-5-3-9(4-6-10)7-8-12/h3-6,8H,7H2,1-2H3
InChIKeyLZQOZXKOTDOYIG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.49
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]acetaldehyde

2-[4-(dimethylamino)phenyl]acetaldehyde (PubChem CID 15114335) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]acetaldehyde
PubChem CID15114335
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[4-(dimethylamino)phenyl]acetaldehyde
SMILESCN(C)c1ccc(CC=O)cc1
InChIInChI=1S/C10H13NO/c1-11(2)10-5-3-9(4-6-10)7-8-12/h3-6,8H,7H2,1-2H3
InChIKeyLZQOZXKOTDOYIG-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline
CID 11101418
2-[[4-(dimethylamino)phenyl]methyl]prop-2-enal
CID 118953189
5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione
CID 24862866
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
2-(4-fluorophenyl)acetaldehyde;propane
CID 142055613
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide
CID 11313119
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline
CID 158194870

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]acetaldehyde?
The IUPAC name of 2-[4-(dimethylamino)phenyl]acetaldehyde (CID 15114335) is 2-[4-(dimethylamino)phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]acetaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]acetaldehyde is CN(C)c1ccc(CC=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]acetaldehyde?
The InChIKey is LZQOZXKOTDOYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11(2)10-5-3-9(4-6-10)7-8-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]acetaldehyde?
2-[4-(dimethylamino)phenyl]acetaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]acetaldehyde is sourced from PubChem (CID 15114335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).