2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine

C13H18N2O — CID 166120622

IUPAC2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine
SMILESNc1ccc2c(c1)CCN(C1CCOC1)C2
InChIInChI=1S/C13H18N2O/c14-12-2-1-11-8-15(5-3-10(11)7-12)13-4-6-16-9-13/h1-2,7,13H,3-6,8-9,14H2
InChIKeyVEZQZAHHOQFBRA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds1

About 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine

2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine (PubChem CID 166120622) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine
PubChem CID166120622
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine
SMILESNc1ccc2c(c1)CCN(C1CCOC1)C2
InChIInChI=1S/C13H18N2O/c14-12-2-1-11-8-15(5-3-10(11)7-12)13-4-6-16-9-13/h1-2,7,13H,3-6,8-9,14H2
InChIKeyVEZQZAHHOQFBRA-UHFFFAOYSA-N
XLogP1.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
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-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine
CID 66000511
2-(oxan-3-yl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107135412
7-chloro-4-(oxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 131908650
6-bromo-2-cyclobutyl-3,4-dihydro-1H-isoquinoline
CID 84711609
3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine
CID 165113998
1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 124521613
2-[1-(oxan-4-yl)ethyl]-1,3-dihydroisoindol-5-amine
CID 114115315
4-(oxolan-3-yl)-1-phenylpiperazin-2-one
CID 131900443
2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine
CID 140755439
2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine
CID 64743877
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 11116040
2-[3-hydrazinyl-1-[2-[[2-[(3R)-oxolan-3-yl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
CID 134341923

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine?
The IUPAC name of 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine (CID 166120622) is 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine.
What is the SMILES notation for 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine?
The canonical SMILES for 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine is Nc1ccc2c(c1)CCN(C1CCOC1)C2.
What is the InChIKey of 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine?
The InChIKey is VEZQZAHHOQFBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12-2-1-11-8-15(5-3-10(11)7-12)13-4-6-16-9-13/h1-2,7,13H,3-6,8-9,14H2.
What are the key properties of 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine?
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine has a molecular weight of 218.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 166120622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).