N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine

C26H26N2O3 — CID 11246986

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine
SMILESCOc1ccc2c(NCc3ccc(OC)c(OC)c3)nc(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H26N2O3/c1-17-25(19-8-6-5-7-9-19)22-15-20(29-2)11-12-21(22)26(28-17)27-16-18-10-13-23(30-3)24(14-18)31-4/h5-15H,16H2,1-4H3,(H,27,28)
InChIKeyUDLKPPJCPVEONV-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.85
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine

N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine (PubChem CID 11246986) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine
PubChem CID11246986
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine
SMILESCOc1ccc2c(NCc3ccc(OC)c(OC)c3)nc(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H26N2O3/c1-17-25(19-8-6-5-7-9-19)22-15-20(29-2)11-12-21(22)26(28-17)27-16-18-10-13-23(30-3)24(14-18)31-4/h5-15H,16H2,1-4H3,(H,27,28)
InChIKeyUDLKPPJCPVEONV-UHFFFAOYSA-N
XLogP5.85
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-2-ium-2-amine
CID 69467327
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
N-benzyl-4-(3-methoxyphenyl)-6-methyl-3-(2-methylphenyl)isoquinolin-1-amine
CID 142740524
3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride
CID 173089726
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430805
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
6-N-butyl-4-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112879734
4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 176550125
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
4-[(3,4-dimethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 4726013

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine (CID 11246986) is N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine is COc1ccc2c(NCc3ccc(OC)c(OC)c3)nc(C)c(-c3ccccc3)c2c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine?
The InChIKey is UDLKPPJCPVEONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17-25(19-8-6-5-7-9-19)22-15-20(29-2)11-12-21(22)26(28-17)27-16-18-10-13-23(30-3)24(14-18)31-4/h5-15H,16H2,1-4H3,(H,27,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine?
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine has a molecular weight of 414.51 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine is sourced from PubChem (CID 11246986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).