N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine

C17H22N2O — CID 62424247

IUPACN-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN1CCc2ccccc2C1
InChIInChI=1S/C17H22N2O/c1-2-18-11-15-8-10-20-17(15)13-19-9-7-14-5-3-4-6-16(14)12-19/h3-6,8,10,18H,2,7,9,11-13H2,1H3
InChIKeyDQVOJISTOOTJLW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds5

About N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine

N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine (PubChem CID 62424247) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
PubChem CID62424247
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN1CCc2ccccc2C1
InChIInChI=1S/C17H22N2O/c1-2-18-11-15-8-10-20-17(15)13-19-9-7-14-5-3-4-6-16(14)12-19/h3-6,8,10,18H,2,7,9,11-13H2,1H3
InChIKeyDQVOJISTOOTJLW-UHFFFAOYSA-N
XLogP2.95
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62425183
N-[[2-(1,3-dihydroisoindol-2-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62439140
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 64582188
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62423399
N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 63153088
N-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 102728468
1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 63193354
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81248813

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine (CID 62424247) is N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine is CCNCc1ccoc1CN1CCc2ccccc2C1.
What is the InChIKey of N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is DQVOJISTOOTJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-18-11-15-8-10-20-17(15)13-19-9-7-14-5-3-4-6-16(14)12-19/h3-6,8,10,18H,2,7,9,11-13H2,1H3.
What are the key properties of N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62424247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).