1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine

C16H18N2O — CID 102647455

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1nccc2ccccc12
InChIInChI=1S/C16H18N2O/c1-17-16(14-8-4-5-11-19-14)15-13-7-3-2-6-12(13)9-10-18-15/h2-3,6-10,16-17H,4-5,11H2,1H3
InChIKeyAQTZECJTXYGFAG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.19
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine (PubChem CID 102647455) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine
PubChem CID102647455
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1nccc2ccccc12
InChIInChI=1S/C16H18N2O/c1-17-16(14-8-4-5-11-19-14)15-13-7-3-2-6-12(13)9-10-18-15/h2-3,6-10,16-17H,4-5,11H2,1H3
InChIKeyAQTZECJTXYGFAG-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 106693422
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 102649497
1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 102647397
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 102653080
1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515594
1-(3,5-difluorophenyl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 63948041
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
CID 103128405
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 102651549
[(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 103445843
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357474
isoquinolin-1-ylmethanediol
CID 57261748
N-[furan-2-yl(isoquinolin-1-yl)methyl]ethanamine
CID 63950200

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine (CID 102647455) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine is CNC(C1=CCCCO1)c1nccc2ccccc12.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine?
The InChIKey is AQTZECJTXYGFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-16(14-8-4-5-11-19-14)15-13-7-3-2-6-12(13)9-10-18-15/h2-3,6-10,16-17H,4-5,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine has a molecular weight of 254.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine is sourced from PubChem (CID 102647455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).