[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine

C15H22N2O — CID 62423352

IUPAC[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCc3ccccc3C2)O1
InChIInChI=1S/C15H22N2O/c16-9-14-5-6-15(18-14)11-17-8-7-12-3-1-2-4-13(12)10-17/h1-4,14-15H,5-11,16H2
InChIKeyBPRZLGBUBFRRMY-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.55
Rot. Bonds3

About [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine

[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine (PubChem CID 62423352) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
PubChem CID62423352
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCc3ccccc3C2)O1
InChIInChI=1S/C15H22N2O/c16-9-14-5-6-15(18-14)11-17-8-7-12-3-1-2-4-13(12)10-17/h1-4,14-15H,5-11,16H2
InChIKeyBPRZLGBUBFRRMY-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62424996
2-[[(2S)-oxiran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline;sulfane
CID 161167109
[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
CID 99109813
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-ol
CID 10803828
5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one
CID 157011867
2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 154744266
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62438407
2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine
CID 118611261
3-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5,6-dihydro-2H-1,2,4-oxadiazine
CID 13340917
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine (CID 62423352) is [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine is NCC1CCC(CN2CCc3ccccc3C2)O1.
What is the InChIKey of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine?
The InChIKey is BPRZLGBUBFRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-9-14-5-6-15(18-14)11-17-8-7-12-3-1-2-4-13(12)10-17/h1-4,14-15H,5-11,16H2.
What are the key properties of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine?
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62423352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).