N-(isoquinolin-5-ylmethyl)-1-phenylethanamine

C18H18N2 — CID 62823520

IUPACN-(isoquinolin-5-ylmethyl)-1-phenylethanamine
SMILESCC(NCc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C18H18N2/c1-14(15-6-3-2-4-7-15)20-13-17-9-5-8-16-12-19-11-10-18(16)17/h2-12,14,20H,13H2,1H3
InChIKeyUEPUGSTZJMYAOL-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.09
Rot. Bonds4

About N-(isoquinolin-5-ylmethyl)-1-phenylethanamine

N-(isoquinolin-5-ylmethyl)-1-phenylethanamine (PubChem CID 62823520) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-1-phenylethanamine
PubChem CID62823520
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-(isoquinolin-5-ylmethyl)-1-phenylethanamine
SMILESCC(NCc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C18H18N2/c1-14(15-6-3-2-4-7-15)20-13-17-9-5-8-16-12-19-11-10-18(16)17/h2-12,14,20H,13H2,1H3
InChIKeyUEPUGSTZJMYAOL-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
N-(isoquinolin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282290
3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894
(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 104503955
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
CID 64606050
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81357004

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-1-phenylethanamine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-1-phenylethanamine (CID 62823520) is N-(isoquinolin-5-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-1-phenylethanamine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-1-phenylethanamine is CC(NCc1cccc2cnccc12)c1ccccc1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-1-phenylethanamine?
The InChIKey is UEPUGSTZJMYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-14(15-6-3-2-4-7-15)20-13-17-9-5-8-16-12-19-11-10-18(16)17/h2-12,14,20H,13H2,1H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-1-phenylethanamine?
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine has a molecular weight of 262.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 62823520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).