N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine

C16H16N2O — CID 81232108

IUPACN-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cccc2ncccc12
InChIInChI=1S/C16H16N2O/c1-2-17-16(12-8-10-19-11-12)14-5-3-7-15-13(14)6-4-9-18-15/h3-11,16-17H,2H2,1H3
InChIKeyGUTSTUDUWFAZFH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.53
Rot. Bonds4

About N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine

N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine (PubChem CID 81232108) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
PubChem CID81232108
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cccc2ncccc12
InChIInChI=1S/C16H16N2O/c1-2-17-16(12-8-10-19-11-12)14-5-3-7-15-13(14)6-4-9-18-15/h3-11,16-17H,2H2,1H3
InChIKeyGUTSTUDUWFAZFH-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N,3-diethyl-1-quinolin-5-ylpentan-1-amine
CID 105176769
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-ethyl-2,2-dimethoxy-1-quinolin-5-ylethanamine
CID 81231933
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
N-[(1-methylcyclopropyl)-quinolin-5-ylmethyl]ethanamine
CID 81232158

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine (CID 81232108) is N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine is CCNC(c1ccoc1)c1cccc2ncccc12.
What is the InChIKey of N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine?
The InChIKey is GUTSTUDUWFAZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-17-16(12-8-10-19-11-12)14-5-3-7-15-13(14)6-4-9-18-15/h3-11,16-17H,2H2,1H3.
What are the key properties of N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine?
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine is sourced from PubChem (CID 81232108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).