N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine

C16H20N2O — CID 66184000

IUPACN-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine
SMILESCCN(C1CNC1)C(c1ccccc1)c1ccco1
InChIInChI=1S/C16H20N2O/c1-2-18(14-11-17-12-14)16(15-9-6-10-19-15)13-7-4-3-5-8-13/h3-10,14,16-17H,2,11-12H2,1H3
InChIKeyMIVYIOVXGFRTSH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.66
Rot. Bonds5

About N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine

N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine (PubChem CID 66184000) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine
PubChem CID66184000
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine
SMILESCCN(C1CNC1)C(c1ccccc1)c1ccco1
InChIInChI=1S/C16H20N2O/c1-2-18(14-11-17-12-14)16(15-9-6-10-19-15)13-7-4-3-5-8-13/h3-10,14,16-17H,2,11-12H2,1H3
InChIKeyMIVYIOVXGFRTSH-UHFFFAOYSA-N
XLogP2.66
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine?
The IUPAC name of N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine (CID 66184000) is N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine?
The canonical SMILES for N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine is CCN(C1CNC1)C(c1ccccc1)c1ccco1.
What is the InChIKey of N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine?
The InChIKey is MIVYIOVXGFRTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-18(14-11-17-12-14)16(15-9-6-10-19-15)13-7-4-3-5-8-13/h3-10,14,16-17H,2,11-12H2,1H3.
What are the key properties of N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine?
N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 66184000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).