[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine

C15H22N2O — CID 106821998

IUPAC[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2Cc3ccccc3C2)C1
InChIInChI=1S/C15H22N2O/c1-2-18-14-7-15(8-14,11-16)17-9-12-5-3-4-6-13(12)10-17/h3-6,14H,2,7-11,16H2,1H3
InChIKeyNGQUAGJESQDWGU-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.90
Rot. Bonds4

About [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine

[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine (PubChem CID 106821998) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
PubChem CID106821998
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2Cc3ccccc3C2)C1
InChIInChI=1S/C15H22N2O/c1-2-18-14-7-15(8-14,11-16)17-9-12-5-3-4-6-13(12)10-17/h3-6,14H,2,7-11,16H2,1H3
InChIKeyNGQUAGJESQDWGU-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine
CID 106822042
[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
CID 106821889
[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
CID 106822190
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline
CID 106821670
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64751461
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 106822187
1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol
CID 106823260
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
CID 65087911

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine?
The IUPAC name of [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine (CID 106821998) is [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine.
What is the SMILES notation for [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine?
The canonical SMILES for [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine is CCOC1CC(CN)(N2Cc3ccccc3C2)C1.
What is the InChIKey of [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine?
The InChIKey is NGQUAGJESQDWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-18-14-7-15(8-14,11-16)17-9-12-5-3-4-6-13(12)10-17/h3-6,14H,2,7-11,16H2,1H3.
What are the key properties of [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine?
[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine is sourced from PubChem (CID 106821998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).