2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine

C19H24N2O — CID 16787975

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H24N2O/c1-2-22-18-9-7-16(8-10-18)19(20)14-21-12-11-15-5-3-4-6-17(15)13-21/h3-10,19H,2,11-14,20H2,1H3
InChIKeyCPORETGGUFDYRK-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.14
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine (PubChem CID 16787975) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
PubChem CID16787975
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H24N2O/c1-2-22-18-9-7-16(8-10-18)19(20)14-21-12-11-15-5-3-4-6-17(15)13-21/h3-10,19H,2,11-14,20H2,1H3
InChIKeyCPORETGGUFDYRK-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 46776239
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 111106106
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 55080824
3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212257
2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine
CID 65404742
2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 16780854

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine (CID 16787975) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(N)CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is CPORETGGUFDYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-22-18-9-7-16(8-10-18)19(20)14-21-12-11-15-5-3-4-6-17(15)13-21/h3-10,19H,2,11-14,20H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 296.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 16787975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).