N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C18H22N2O — CID 80648522

IUPACN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(c(CNC3CCCc4occc43)c1)NCCC2
InChIInChI=1S/C18H22N2O/c1-4-13-6-3-10-19-18(13)14(5-1)12-20-16-7-2-8-17-15(16)9-11-21-17/h1,4-5,9,11,16,19-20H,2-3,6-8,10,12H2
InChIKeyCELVESVZFXFQEW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.80
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 80648522) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID80648522
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(c(CNC3CCCc4occc43)c1)NCCC2
InChIInChI=1S/C18H22N2O/c1-4-13-6-3-10-19-18(13)14(5-1)12-20-16-7-2-8-17-15(16)9-11-21-17/h1,4-5,9,11,16,19-20H,2-3,6-8,10,12H2
InChIKeyCELVESVZFXFQEW-UHFFFAOYSA-N
XLogP3.80
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 80648522) is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(c(CNC3CCCc4occc43)c1)NCCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is CELVESVZFXFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-13-6-3-10-19-18(13)14(5-1)12-20-16-7-2-8-17-15(16)9-11-21-17/h1,4-5,9,11,16,19-20H,2-3,6-8,10,12H2.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 80648522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).