2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine

C14H20N2O — CID 106822833

IUPAC2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCOC1CC(N2CCc3c(N)cccc3C2)C1
InChIInChI=1S/C14H20N2O/c1-17-12-7-11(8-12)16-6-5-13-10(9-16)3-2-4-14(13)15/h2-4,11-12H,5-9,15H2,1H3
InChIKeyMQDZAQNHWZMIFJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.80
Rot. Bonds2

About 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 106822833) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID106822833
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCOC1CC(N2CCc3c(N)cccc3C2)C1
InChIInChI=1S/C14H20N2O/c1-17-12-7-11(8-12)16-6-5-13-10(9-16)3-2-4-14(13)15/h2-4,11-12H,5-9,15H2,1H3
InChIKeyMQDZAQNHWZMIFJ-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103563697
2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017555
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
2-methoxy-2,3-dihydro-1H-inden-4-amine
CID 105432211
2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522189
2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 107429453
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 116531428
2-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903843
1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103021500
5-amino-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 143544356
2-(2-methoxyethylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 55014169
2-(1,1-dioxothian-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522543

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 106822833) is 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine is COC1CC(N2CCc3c(N)cccc3C2)C1.
What is the InChIKey of 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is MQDZAQNHWZMIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-12-7-11(8-12)16-6-5-13-10(9-16)3-2-4-14(13)15/h2-4,11-12H,5-9,15H2,1H3.
What are the key properties of 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 232.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 106822833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).