N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine

C17H22N2O2 — CID 43178931

IUPACN-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
SMILESc1ccc(C(NCCN2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-5-15(6-3-1)17(16-7-4-12-21-16)18-8-9-19-10-13-20-14-11-19/h1-7,12,17-18H,8-11,13-14H2
InChIKeyDFGLNIJTUPTAPJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.29
Rot. Bonds6

About N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine

N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 43178931) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID43178931
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
SMILESc1ccc(C(NCCN2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-5-15(6-3-1)17(16-7-4-12-21-16)18-8-9-19-10-13-20-14-11-19/h1-7,12,17-18H,8-11,13-14H2
InChIKeyDFGLNIJTUPTAPJ-UHFFFAOYSA-N
XLogP2.29
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine (CID 43178931) is N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine is c1ccc(C(NCCN2CCOCC2)c2ccco2)cc1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is DFGLNIJTUPTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-5-15(6-3-1)17(16-7-4-12-21-16)18-8-9-19-10-13-20-14-11-19/h1-7,12,17-18H,8-11,13-14H2.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine?
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43178931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).