4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

C14H22N2O — CID 105495022

IUPAC4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCCN(CC)CC1CNCc2ccc(O)cc21
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-12-9-15-8-11-5-6-13(17)7-14(11)12/h5-7,12,15,17H,3-4,8-10H2,1-2H3
InChIKeyRBSDFRSPWTYLNU-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.92
Rot. Bonds4

About 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 105495022) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID105495022
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCCN(CC)CC1CNCc2ccc(O)cc21
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-12-9-15-8-11-5-6-13(17)7-14(11)12/h5-7,12,15,17H,3-4,8-10H2,1-2H3
InChIKeyRBSDFRSPWTYLNU-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 105495024
(4S)-6-chloro-4-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 86325815
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262416
1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine
CID 105462032
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine
CID 65262124
11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 10219748
6-ethyl-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 82048510
3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
CID 105496645
2,3-dihydro-1H-isoindol-5-ol;methanol;yttrium
CID 166486218
3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
CID 84733032
4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105459336

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 105495022) is 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is CCN(CC)CC1CNCc2ccc(O)cc21.
What is the InChIKey of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is RBSDFRSPWTYLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(4-2)10-12-9-15-8-11-5-6-13(17)7-14(11)12/h5-7,12,15,17H,3-4,8-10H2,1-2H3.
What are the key properties of 4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 234.34 g/mol, XLogP of 1.92, 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-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 105495022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).