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

C19H24N2 — CID 65486181

IUPACN-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
SMILESCN(CCc1ccccc1)CC1CNCc2ccccc21
InChIInChI=1S/C19H24N2/c1-21(12-11-16-7-3-2-4-8-16)15-18-14-20-13-17-9-5-6-10-19(17)18/h2-10,18,20H,11-15H2,1H3
InChIKeyQRMSUNDCAKXKDH-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.05
Rot. Bonds5

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

N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine (PubChem CID 65486181) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
PubChem CID65486181
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
SMILESCN(CCc1ccccc1)CC1CNCc2ccccc21
InChIInChI=1S/C19H24N2/c1-21(12-11-16-7-3-2-4-8-16)15-18-14-20-13-17-9-5-6-10-19(17)18/h2-10,18,20H,11-15H2,1H3
InChIKeyQRMSUNDCAKXKDH-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine (CID 65486181) is N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine is CN(CCc1ccccc1)CC1CNCc2ccccc21.
What is the InChIKey of N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine?
The InChIKey is QRMSUNDCAKXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-21(12-11-16-7-3-2-4-8-16)15-18-14-20-13-17-9-5-6-10-19(17)18/h2-10,18,20H,11-15H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine?
N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 65486181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).