4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol

C14H22N2O — CID 105495034

IUPAC4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCCN(CC)CC1CCNc2c(O)cccc21
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-11-8-9-15-14-12(11)6-5-7-13(14)17/h5-7,11,15,17H,3-4,8-10H2,1-2H3
InChIKeyQAMSRPOGFITBAR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds4

About 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol

4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol (PubChem CID 105495034) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol
PubChem CID105495034
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCCN(CC)CC1CCNc2c(O)cccc21
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-11-8-9-15-14-12(11)6-5-7-13(14)17/h5-7,11,15,17H,3-4,8-10H2,1-2H3
InChIKeyQAMSRPOGFITBAR-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol?
The IUPAC name of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol (CID 105495034) is 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol.
What is the SMILES notation for 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol?
The canonical SMILES for 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol is CCN(CC)CC1CCNc2c(O)cccc21.
What is the InChIKey of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol?
The InChIKey is QAMSRPOGFITBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(4-2)10-11-8-9-15-14-12(11)6-5-7-13(14)17/h5-7,11,15,17H,3-4,8-10H2,1-2H3.
What are the key properties of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol?
4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol has a molecular weight of 234.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol is sourced from PubChem (CID 105495034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).