N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

C17H20N2O — CID 82583078

IUPACN-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1cccc(Nc2cccc3c2CC(C)NC3)c1
InChIInChI=1S/C17H20N2O/c1-12-9-16-13(11-18-12)5-3-8-17(16)19-14-6-4-7-15(10-14)20-2/h3-8,10,12,18-19H,9,11H2,1-2H3
InChIKeyGMMKYNIITDXSGS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds3

About N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 82583078) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID82583078
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1cccc(Nc2cccc3c2CC(C)NC3)c1
InChIInChI=1S/C17H20N2O/c1-12-9-16-13(11-18-12)5-3-8-17(16)19-14-6-4-7-15(10-14)20-2/h3-8,10,12,18-19H,9,11H2,1-2H3
InChIKeyGMMKYNIITDXSGS-UHFFFAOYSA-N
XLogP3.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582780
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 35700262
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
5-fluoro-2-methoxy-N-(3-methoxyphenyl)aniline
CID 82537043
N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
CID 66714164
2-(3-methoxyanilino)benzoate
CID 6943552
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 82583078) is N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is COc1cccc(Nc2cccc3c2CC(C)NC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is GMMKYNIITDXSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-9-16-13(11-18-12)5-3-8-17(16)19-14-6-4-7-15(10-14)20-2/h3-8,10,12,18-19H,9,11H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 82583078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).