1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C18H28N2O — CID 114830217

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCc3ccccc3C2)C1(C)C
InChIInChI=1S/C18H28N2O/c1-4-21-16-11-18(19,17(16,2)3)13-20-10-9-14-7-5-6-8-15(14)12-20/h5-8,16H,4,9-13,19H2,1-3H3
InChIKeyLIQQRAZBTMLXLW-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.58
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830217) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID114830217
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCc3ccccc3C2)C1(C)C
InChIInChI=1S/C18H28N2O/c1-4-21-16-11-18(19,17(16,2)3)13-20-10-9-14-7-5-6-8-15(14)12-20/h5-8,16H,4,9-13,19H2,1-3H3
InChIKeyLIQQRAZBTMLXLW-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine with MolForge

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Related Compounds

1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830560
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674
3-ethoxy-1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 106587370
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
CID 82767653
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 109000030
ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 63906631
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
CID 65212502
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-ethylsulfonylpyrrolidin-3-ol
CID 124964703

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 114830217) is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN2CCc3ccccc3C2)C1(C)C.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is LIQQRAZBTMLXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-21-16-11-18(19,17(16,2)3)13-20-10-9-14-7-5-6-8-15(14)12-20/h5-8,16H,4,9-13,19H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).