N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine

C24H22N2O — CID 142430528

IUPACN-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
SMILESCOc1ccc(-c2ccc(CNc3cccc4cnccc34)cc2)cc1C
InChIInChI=1S/C24H22N2O/c1-17-14-20(10-11-24(17)27-2)19-8-6-18(7-9-19)15-26-23-5-3-4-21-16-25-13-12-22(21)23/h3-14,16,26H,15H2,1-2H3
InChIKeyDMGOHJPJODEJAX-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.83
Rot. Bonds5

About N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine

N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine (PubChem CID 142430528) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
PubChem CID142430528
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
SMILESCOc1ccc(-c2ccc(CNc3cccc4cnccc34)cc2)cc1C
InChIInChI=1S/C24H22N2O/c1-17-14-20(10-11-24(17)27-2)19-8-6-18(7-9-19)15-26-23-5-3-4-21-16-25-13-12-22(21)23/h3-14,16,26H,15H2,1-2H3
InChIKeyDMGOHJPJODEJAX-UHFFFAOYSA-N
XLogP5.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-5-amine
CID 43229368
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine
CID 115742878
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]isoquinolin-5-amine
CID 115742879
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
8-methoxy-N-[(4-methylphenyl)methyl]quinolin-4-amine
CID 178086355
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine?
The IUPAC name of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine (CID 142430528) is N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine?
The canonical SMILES for N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine is COc1ccc(-c2ccc(CNc3cccc4cnccc34)cc2)cc1C.
What is the InChIKey of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine?
The InChIKey is DMGOHJPJODEJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17-14-20(10-11-24(17)27-2)19-8-6-18(7-9-19)15-26-23-5-3-4-21-16-25-13-12-22(21)23/h3-14,16,26H,15H2,1-2H3.
What are the key properties of N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine?
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine has a molecular weight of 354.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine is sourced from PubChem (CID 142430528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).