N-ethyl-3-methyl-8-phenylisoquinolin-1-amine

C18H18N2 — CID 123954183

IUPACN-ethyl-3-methyl-8-phenylisoquinolin-1-amine
SMILESCCNc1nc(C)cc2cccc(-c3ccccc3)c12
InChIInChI=1S/C18H18N2/c1-3-19-18-17-15(12-13(2)20-18)10-7-11-16(17)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyKFMPLHNJJGUVOE-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.64
Rot. Bonds3

About N-ethyl-3-methyl-8-phenylisoquinolin-1-amine

N-ethyl-3-methyl-8-phenylisoquinolin-1-amine (PubChem CID 123954183) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-8-phenylisoquinolin-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-8-phenylisoquinolin-1-amine
PubChem CID123954183
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-ethyl-3-methyl-8-phenylisoquinolin-1-amine
SMILESCCNc1nc(C)cc2cccc(-c3ccccc3)c12
InChIInChI=1S/C18H18N2/c1-3-19-18-17-15(12-13(2)20-18)10-7-11-16(17)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyKFMPLHNJJGUVOE-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-3-methylisoquinoline-1,5-diamine
CID 82570736
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine
CID 19699654
2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886946
N-ethyl-3,6-dimethylpyridin-2-amine
CID 146415622
6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
CID 56952735
(3-ethyl-8-phenylquinolin-2-yl)hydrazine
CID 63524029
2-methylquinolin-8-ol;2-phenylphenol;propane
CID 143547724
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylaniline
CID 79262883
4-[8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-3-yl]benzenesulfonamide
CID 118659367
N-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-8-phenylisoquinolin-1-amine?
The IUPAC name of N-ethyl-3-methyl-8-phenylisoquinolin-1-amine (CID 123954183) is N-ethyl-3-methyl-8-phenylisoquinolin-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-8-phenylisoquinolin-1-amine?
The canonical SMILES for N-ethyl-3-methyl-8-phenylisoquinolin-1-amine is CCNc1nc(C)cc2cccc(-c3ccccc3)c12.
What is the InChIKey of N-ethyl-3-methyl-8-phenylisoquinolin-1-amine?
The InChIKey is KFMPLHNJJGUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-19-18-17-15(12-13(2)20-18)10-7-11-16(17)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-3-methyl-8-phenylisoquinolin-1-amine?
N-ethyl-3-methyl-8-phenylisoquinolin-1-amine has a molecular weight of 262.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-8-phenylisoquinolin-1-amine is sourced from PubChem (CID 123954183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).