N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine

C17H20N2 — CID 13457435

IUPACN-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
SMILESCNCC1NCC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3
InChIKeyUYHHYORUPUOBTL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.68
Rot. Bonds3

About N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine

N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine (PubChem CID 13457435) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
PubChem CID13457435
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
SMILESCNCC1NCC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3
InChIKeyUYHHYORUPUOBTL-UHFFFAOYSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The IUPAC name of N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine (CID 13457435) is N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine is CNCC1NCC(c2ccccc2)c2ccccc21.
What is the InChIKey of N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The InChIKey is UYHHYORUPUOBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3.
What are the key properties of N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine has a molecular weight of 252.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine is sourced from PubChem (CID 13457435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).