propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate

C14H20N2O2 — CID 112738625

IUPACpropyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate
SMILESCCCOC(=O)NCC1NCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-2-9-18-14(17)16-10-13-12-6-4-3-5-11(12)7-8-15-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyQPHXDKFTXIIUCG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds4

About propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate

propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate (PubChem CID 112738625) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate.

Molecular Properties

Compound Namepropyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate
PubChem CID112738625
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namepropyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate
SMILESCCCOC(=O)NCC1NCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-2-9-18-14(17)16-10-13-12-6-4-3-5-11(12)7-8-15-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyQPHXDKFTXIIUCG-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate 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

(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)isoquinoline-4-carboxamide
CID 167952472
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine
CID 103462256
N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 82086263
N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509751
N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509722
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849

Frequently Asked Questions

What is the IUPAC name of propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate?
The IUPAC name of propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate (CID 112738625) is propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate.
What is the SMILES notation for propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate?
The canonical SMILES for propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate is CCCOC(=O)NCC1NCCc2ccccc21.
What is the InChIKey of propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate?
The InChIKey is QPHXDKFTXIIUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-9-18-14(17)16-10-13-12-6-4-3-5-11(12)7-8-15-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate?
propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate is sourced from PubChem (CID 112738625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).