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

C17H20N2O — CID 82583117

IUPACN-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1ccccc1Nc1cccc2c1C(C)CNC2
InChIInChI=1S/C17H20N2O/c1-12-10-18-11-13-6-5-8-15(17(12)13)19-14-7-3-4-9-16(14)20-2/h3-9,12,18-19H,10-11H2,1-2H3
InChIKeyFDBAZJKIVCHPGP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.65
Rot. Bonds3

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

N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 82583117) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID82583117
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1ccccc1Nc1cccc2c1C(C)CNC2
InChIInChI=1S/C17H20N2O/c1-12-10-18-11-13-6-5-8-15(17(12)13)19-14-7-3-4-9-16(14)20-2/h3-9,12,18-19H,10-11H2,1-2H3
InChIKeyFDBAZJKIVCHPGP-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145
2-methoxy-N-phenylaniline
CID 10910514
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
3-(2-methoxyanilino)phenol
CID 82537348
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 10540962
(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64687411
1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
CID 84732148
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 82583117) is N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is COc1ccccc1Nc1cccc2c1C(C)CNC2.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is FDBAZJKIVCHPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-10-18-11-13-6-5-8-15(17(12)13)19-14-7-3-4-9-16(14)20-2/h3-9,12,18-19H,10-11H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 82583117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).