2-[4-amino-3-(ethylamino)phenyl]propanal

C11H16N2O — CID 174473026

IUPAC2-[4-amino-3-(ethylamino)phenyl]propanal
SMILESCCNc1cc(C(C)C=O)ccc1N
InChIInChI=1S/C11H16N2O/c1-3-13-11-6-9(8(2)7-14)4-5-10(11)12/h4-8,13H,3,12H2,1-2H3
InChIKeyBKBJHQJSFIEHOC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-amino-3-(ethylamino)phenyl]propanal

2-[4-amino-3-(ethylamino)phenyl]propanal (PubChem CID 174473026) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[4-amino-3-(ethylamino)phenyl]propanal.

Molecular Properties

Compound Name2-[4-amino-3-(ethylamino)phenyl]propanal
PubChem CID174473026
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[4-amino-3-(ethylamino)phenyl]propanal
SMILESCCNc1cc(C(C)C=O)ccc1N
InChIInChI=1S/C11H16N2O/c1-3-13-11-6-9(8(2)7-14)4-5-10(11)12/h4-8,13H,3,12H2,1-2H3
InChIKeyBKBJHQJSFIEHOC-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(ethylamino)phenyl]propanal?
The IUPAC name of 2-[4-amino-3-(ethylamino)phenyl]propanal (CID 174473026) is 2-[4-amino-3-(ethylamino)phenyl]propanal.
What is the SMILES notation for 2-[4-amino-3-(ethylamino)phenyl]propanal?
The canonical SMILES for 2-[4-amino-3-(ethylamino)phenyl]propanal is CCNc1cc(C(C)C=O)ccc1N.
What is the InChIKey of 2-[4-amino-3-(ethylamino)phenyl]propanal?
The InChIKey is BKBJHQJSFIEHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-13-11-6-9(8(2)7-14)4-5-10(11)12/h4-8,13H,3,12H2,1-2H3.
What are the key properties of 2-[4-amino-3-(ethylamino)phenyl]propanal?
2-[4-amino-3-(ethylamino)phenyl]propanal has a molecular weight of 192.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(ethylamino)phenyl]propanal is sourced from PubChem (CID 174473026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).