2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde

C20H26N2O — CID 54021623

IUPAC2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde
SMILESCN(C)CCCN(CCc1ccccc1)c1ccccc1C=O
InChIInChI=1S/C20H26N2O/c1-21(2)14-8-15-22(16-13-18-9-4-3-5-10-18)20-12-7-6-11-19(20)17-23/h3-7,9-12,17H,8,13-16H2,1-2H3
InChIKeyKZHWIEHHONLXGE-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.50
Rot. Bonds9

About 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde

2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde (PubChem CID 54021623) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde
PubChem CID54021623
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde
SMILESCN(C)CCCN(CCc1ccccc1)c1ccccc1C=O
InChIInChI=1S/C20H26N2O/c1-21(2)14-8-15-22(16-13-18-9-4-3-5-10-18)20-12-7-6-11-19(20)17-23/h3-7,9-12,17H,8,13-16H2,1-2H3
InChIKeyKZHWIEHHONLXGE-UHFFFAOYSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(butyl)amino]benzaldehyde
CID 151381446
ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 143170107
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-2-phenylethanamine;ethyl formate
CID 158758698
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
4-chloro-2-[3-(dimethylamino)propyl-ethylamino]benzaldehyde
CID 102994578
3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
CID 82330379
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid
CID 173132707

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde?
The IUPAC name of 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde (CID 54021623) is 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde?
The canonical SMILES for 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde is CN(C)CCCN(CCc1ccccc1)c1ccccc1C=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde?
The InChIKey is KZHWIEHHONLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21(2)14-8-15-22(16-13-18-9-4-3-5-10-18)20-12-7-6-11-19(20)17-23/h3-7,9-12,17H,8,13-16H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde?
2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde has a molecular weight of 310.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde is sourced from PubChem (CID 54021623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).