7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine

C16H18N2O — CID 82582930

IUPAC7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCOc1ccc2c(c1Nc1ccccc1)CNCC2
InChIInChI=1S/C16H18N2O/c1-19-15-8-7-12-9-10-17-11-14(12)16(15)18-13-5-3-2-4-6-13/h2-8,17-18H,9-11H2,1H3
InChIKeyRAJVTJLGTXIJFR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.08
Rot. Bonds3

About 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine

7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 82582930) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID82582930
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCOc1ccc2c(c1Nc1ccccc1)CNCC2
InChIInChI=1S/C16H18N2O/c1-19-15-8-7-12-9-10-17-11-14(12)16(15)18-13-5-3-2-4-6-13/h2-8,17-18H,9-11H2,1H3
InChIKeyRAJVTJLGTXIJFR-UHFFFAOYSA-N
XLogP3.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583004
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl) acetate
CID 11775678
2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 147285912
4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline
CID 82583473
6-methoxy-8-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 153406501
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738168
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 84686653
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
2-methoxy-N-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102067
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 82582930) is 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine is COc1ccc2c(c1Nc1ccccc1)CNCC2.
What is the InChIKey of 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is RAJVTJLGTXIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-15-8-7-12-9-10-17-11-14(12)16(15)18-13-5-3-2-4-6-13/h2-8,17-18H,9-11H2,1H3.
What are the key properties of 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 254.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 82582930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).