2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine

C16H20N2O — CID 104557410

IUPAC2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
SMILESc1coc(CCNCc2cccc3c2CCNC3)c1
InChIInChI=1S/C16H20N2O/c1-3-13(16-7-9-18-12-14(16)4-1)11-17-8-6-15-5-2-10-19-15/h1-5,10,17-18H,6-9,11-12H2
InChIKeyAOLUTPCZMKRYRJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds5

About 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine

2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine (PubChem CID 104557410) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
PubChem CID104557410
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
SMILESc1coc(CCNCc2cccc3c2CCNC3)c1
InChIInChI=1S/C16H20N2O/c1-3-13(16-7-9-18-12-14(16)4-1)11-17-8-6-15-5-2-10-19-15/h1-5,10,17-18H,6-9,11-12H2
InChIKeyAOLUTPCZMKRYRJ-UHFFFAOYSA-N
XLogP2.26
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557620
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 65315812
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
6-[[2-(furan-2-yl)ethylamino]methyl]-1,3-benzodioxol-5-ol
CID 55012877
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408059
2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107116987

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine (CID 104557410) is 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine is c1coc(CCNCc2cccc3c2CCNC3)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
The InChIKey is AOLUTPCZMKRYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-13(16-7-9-18-12-14(16)4-1)11-17-8-6-15-5-2-10-19-15/h1-5,10,17-18H,6-9,11-12H2.
What are the key properties of 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine is sourced from PubChem (CID 104557410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).