N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

C16H18N2 — CID 80505694

IUPACN-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCN(c1ccccc1)c1cccc2c1CCNC2
InChIInChI=1S/C16H18N2/c1-18(14-7-3-2-4-8-14)16-9-5-6-13-12-17-11-10-15(13)16/h2-9,17H,10-12H2,1H3
InChIKeyGXAFAARFRWBLHZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.10
Rot. Bonds2

About N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 80505694) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID80505694
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCN(c1ccccc1)c1cccc2c1CCNC2
InChIInChI=1S/C16H18N2/c1-18(14-7-3-2-4-8-14)16-9-5-6-13-12-17-11-10-15(13)16/h2-9,17H,10-12H2,1H3
InChIKeyGXAFAARFRWBLHZ-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 80505694) is N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine is CN(c1ccccc1)c1cccc2c1CCNC2.
What is the InChIKey of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is GXAFAARFRWBLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-18(14-7-3-2-4-8-14)16-9-5-6-13-12-17-11-10-15(13)16/h2-9,17H,10-12H2,1H3.
What are the key properties of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 238.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 80505694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).