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

C10H14N2O — CID 170754741

IUPAC2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde
SMILESCN(C)c1cc(N)ccc1CC=O
InChIInChI=1S/C10H14N2O/c1-12(2)10-7-9(11)4-3-8(10)5-6-13/h3-4,6-7H,5,11H2,1-2H3
InChIKeyWNINNOJVEZKAKS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.08
Rot. Bonds3

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

2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde (PubChem CID 170754741) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde
PubChem CID170754741
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde
SMILESCN(C)c1cc(N)ccc1CC=O
InChIInChI=1S/C10H14N2O/c1-12(2)10-7-9(11)4-3-8(10)5-6-13/h3-4,6-7H,5,11H2,1-2H3
InChIKeyWNINNOJVEZKAKS-UHFFFAOYSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
(Z)-3-[4-amino-2-(dimethylamino)phenyl]prop-2-enal;ethane
CID 176996851
1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde
CID 176997282
1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine
CID 141451850
2-(2,5-diaminophenyl)acetaldehyde;sulfuric acid
CID 87689925
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 97301750
tert-butyl 5-amino-2-(2-oxoethyl)benzoate
CID 171619426
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
CID 131637048
4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 69123591
4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 19009144
2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde
CID 19065702
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
CID 42815568

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde?
The IUPAC name of 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde (CID 170754741) is 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde?
The canonical SMILES for 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde is CN(C)c1cc(N)ccc1CC=O.
What is the InChIKey of 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde?
The InChIKey is WNINNOJVEZKAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(2)10-7-9(11)4-3-8(10)5-6-13/h3-4,6-7H,5,11H2,1-2H3.
What are the key properties of 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde?
2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde has a molecular weight of 178.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde is sourced from PubChem (CID 170754741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).