N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine

C13H15ClN2O2 — CID 64601411

IUPACN-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COc2cncc(Cl)c2)c1
InChIInChI=1S/C13H15ClN2O2/c1-2-15-5-10-3-13(17-8-10)9-18-12-4-11(14)6-16-7-12/h3-4,6-8,15H,2,5,9H2,1H3
InChIKeyDGGACADFZGWAKF-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.02
Rot. Bonds6

About N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine

N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine (PubChem CID 64601411) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine
PubChem CID64601411
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COc2cncc(Cl)c2)c1
InChIInChI=1S/C13H15ClN2O2/c1-2-15-5-10-3-13(17-8-10)9-18-12-4-11(14)6-16-7-12/h3-4,6-8,15H,2,5,9H2,1H3
InChIKeyDGGACADFZGWAKF-UHFFFAOYSA-N
XLogP3.02
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 64601412
N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452104
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62451469
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
1-[(5-chloro-3-pyridinyl)oxy]-3-(ethylamino)-2-methylpropan-2-ol
CID 66335510
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 66227074
3-[(5-bromofuran-2-yl)methoxy]-5-chloropyridine
CID 130643811
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 116793496
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine (CID 64601411) is N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine is CCNCc1coc(COc2cncc(Cl)c2)c1.
What is the InChIKey of N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine?
The InChIKey is DGGACADFZGWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-15-5-10-3-13(17-8-10)9-18-12-4-11(14)6-16-7-12/h3-4,6-8,15H,2,5,9H2,1H3.
What are the key properties of N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine?
N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine has a molecular weight of 266.73 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 64601411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).