1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine

C17H18N2O — CID 15933744

IUPAC1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine
SMILESCNc1ccc2c(c1)CCN=C2c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O/c1-18-14-5-8-16-13(11-14)9-10-19-17(16)12-3-6-15(20-2)7-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyQXWMSDBUNVAQLA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine

1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine (PubChem CID 15933744) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine
PubChem CID15933744
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine
SMILESCNc1ccc2c(c1)CCN=C2c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O/c1-18-14-5-8-16-13(11-14)9-10-19-17(16)12-3-6-15(20-2)7-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyQXWMSDBUNVAQLA-UHFFFAOYSA-N
XLogP3.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline
CID 21497144
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
CID 122449104
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
CID 155741888
CID 155741888
7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
CID 135507780
1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
CID 18172454
8-chloro-1-hydroxy-6-(4-methoxyphenyl)-3,4-dihydro-1,5-benzodiazocin-2-imine
CID 12569424
1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13419015
6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline
CID 18172389
1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline
CID 54014187
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine (CID 15933744) is 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine is CNc1ccc2c(c1)CCN=C2c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine?
The InChIKey is QXWMSDBUNVAQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-14-5-8-16-13(11-14)9-10-19-17(16)12-3-6-15(20-2)7-4-12/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine?
1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine has a molecular weight of 266.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinolin-6-amine is sourced from PubChem (CID 15933744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).