4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde

C13H20N2O2 — CID 154967536

IUPAC4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde
SMILESCCN(CCOCCN)c1ccc(C=O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-15(8-10-17-9-7-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10,14H2,1H3
InChIKeyPVDSKKHNKYFTCJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds8

About 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde

4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde (PubChem CID 154967536) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde
PubChem CID154967536
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde
SMILESCCN(CCOCCN)c1ccc(C=O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-15(8-10-17-9-7-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10,14H2,1H3
InChIKeyPVDSKKHNKYFTCJ-UHFFFAOYSA-N
XLogP1.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
CID 87586742
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
4-(dibutylamino)benzaldehyde
CID 605391
4-[2-aminoethyl(methyl)amino]benzaldehyde
CID 138510674
(2E,5E)-2-[[4-[bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]phenyl]methylidene]-5-[[4-(diethylamino)phenyl]methylidene]cyclopentan-1-one
CID 53467510
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
4-[2-[1-[2-[2-[4-[2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-diethylaniline
CID 75984107
N'-ethyl-N'-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethane-1,2-diamine
CID 90277351
4-(diethylamino)benzaldehyde;phenylsulfanylbenzene
CID 172832620
(2E,5E)-2,5-bis[[4-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]phenyl]methylidene]cyclopentan-1-one
CID 53467285
[4-[ethyl(2-propoxyethyl)amino]phenoxy]boronic acid
CID 54287329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde?
The IUPAC name of 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde (CID 154967536) is 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde.
What is the SMILES notation for 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde?
The canonical SMILES for 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde is CCN(CCOCCN)c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde?
The InChIKey is PVDSKKHNKYFTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-15(8-10-17-9-7-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10,14H2,1H3.
What are the key properties of 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde?
4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde has a molecular weight of 236.31 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde is sourced from PubChem (CID 154967536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).