1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine

C18H18N2O — CID 103143227

IUPAC1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)(N)c2cccc3ccncc23)c1
InChIInChI=1S/C18H18N2O/c1-18(19,14-6-4-7-15(11-14)21-2)17-8-3-5-13-9-10-20-12-16(13)17/h3-12H,19H2,1-2H3
InChIKeyABNCRCVATONDST-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.47
Rot. Bonds3

About 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine

1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine (PubChem CID 103143227) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine
PubChem CID103143227
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)(N)c2cccc3ccncc23)c1
InChIInChI=1S/C18H18N2O/c1-18(19,14-6-4-7-15(11-14)21-2)17-8-3-5-13-9-10-20-12-16(13)17/h3-12H,19H2,1-2H3
InChIKeyABNCRCVATONDST-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
2-isoquinolin-8-yl-1-methoxybutan-2-amine
CID 103143248
2-isoquinolin-8-yl-1-methoxypropan-2-ol
CID 103142735
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146
1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62787473
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103133497
2-amino-1-isoquinolin-8-yl-1-phenylethanol
CID 103143061
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
CID 103142671
1-tert-butyl-7-methoxynaphthalene
CID 608110

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine (CID 103143227) is 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)(N)c2cccc3ccncc23)c1.
What is the InChIKey of 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is ABNCRCVATONDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(19,14-6-4-7-15(11-14)21-2)17-8-3-5-13-9-10-20-12-16(13)17/h3-12H,19H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine?
1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 103143227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).