N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine

C14H22N2 — CID 10822718

IUPACN-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
SMILESCCN(CC)CC1Cc2ccccc2CN1
InChIInChI=1S/C14H22N2/c1-3-16(4-2)11-14-9-12-7-5-6-8-13(12)10-15-14/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyMFNJZNJQKUSSSH-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine

N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine (PubChem CID 10822718) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
PubChem CID10822718
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
SMILESCCN(CC)CC1Cc2ccccc2CN1
InChIInChI=1S/C14H22N2/c1-3-16(4-2)11-14-9-12-7-5-6-8-13(12)10-15-14/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyMFNJZNJQKUSSSH-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine (CID 10822718) is N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine is CCN(CC)CC1Cc2ccccc2CN1.
What is the InChIKey of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
The InChIKey is MFNJZNJQKUSSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16(4-2)11-14-9-12-7-5-6-8-13(12)10-15-14/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine is sourced from PubChem (CID 10822718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).