N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine

C16H18N2 — CID 82582888

IUPACN-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCN(c1ccccc1)c1cccc2c1CNCC2
InChIInChI=1S/C16H18N2/c1-18(14-7-3-2-4-8-14)16-9-5-6-13-10-11-17-12-15(13)16/h2-9,17H,10-12H2,1H3
InChIKeyQSOLYIVAJKVYTF-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.10
Rot. Bonds2

About N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine

N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 82582888) 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-8-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID82582888
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCN(c1ccccc1)c1cccc2c1CNCC2
InChIInChI=1S/C16H18N2/c1-18(14-7-3-2-4-8-14)16-9-5-6-13-10-11-17-12-15(13)16/h2-9,17H,10-12H2,1H3
InChIKeyQSOLYIVAJKVYTF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80505694
N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142185
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142429
9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride
CID 168899418
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142297
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetic acid
CID 110489133
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
N-methyl-2-[2-(N-methylanilino)phenyl]-N-phenylaniline
CID 132560477
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215402

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 82582888) is N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine is CN(c1ccccc1)c1cccc2c1CNCC2.
What is the InChIKey of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is QSOLYIVAJKVYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-18(14-7-3-2-4-8-14)16-9-5-6-13-10-11-17-12-15(13)16/h2-9,17H,10-12H2,1H3.
What are the key properties of N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-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-8-amine is sourced from PubChem (CID 82582888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).