acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine

C15H26N2O2 — CID 144603069

IUPACacetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine
SMILESC1CCNC1.CC=O.CNC(C)c1ccc(O)cc1
InChIInChI=1S/C9H13NO.C4H9N.C2H4O/c1-7(10-2)8-3-5-9(11)6-4-8;1-2-4-5-3-1;1-2-3/h3-7,10-11H,1-2H3;5H,1-4H2;2H,1H3
InChIKeyJFOBYNOZMQDCHH-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.25
Rot. Bonds2

About acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine

acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine (PubChem CID 144603069) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine.

Molecular Properties

Compound Nameacetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine
PubChem CID144603069
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nameacetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine
SMILESC1CCNC1.CC=O.CNC(C)c1ccc(O)cc1
InChIInChI=1S/C9H13NO.C4H9N.C2H4O/c1-7(10-2)8-3-5-9(11)6-4-8;1-2-4-5-3-1;1-2-3/h3-7,10-11H,1-2H3;5H,1-4H2;2H,1H3
InChIKeyJFOBYNOZMQDCHH-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine?
The IUPAC name of acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine (CID 144603069) is acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine.
What is the SMILES notation for acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine?
The canonical SMILES for acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine is C1CCNC1.CC=O.CNC(C)c1ccc(O)cc1.
What is the InChIKey of acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine?
The InChIKey is JFOBYNOZMQDCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C4H9N.C2H4O/c1-7(10-2)8-3-5-9(11)6-4-8;1-2-4-5-3-1;1-2-3/h3-7,10-11H,1-2H3;5H,1-4H2;2H,1H3.
What are the key properties of acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine?
acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine has a molecular weight of 266.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine is sourced from PubChem (CID 144603069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).