N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine

C13H22N2O2 — CID 79092986

IUPACN-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1CN(C)CCO1
InChIInChI=1S/C13H22N2O2/c1-3-5-14-13(11-4-7-16-10-11)12-9-15(2)6-8-17-12/h4,7,10,12-14H,3,5-6,8-9H2,1-2H3
InChIKeyXIQRPFYJLBPUCL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.65
Rot. Bonds5

About N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine

N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79092986) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79092986
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1CN(C)CCO1
InChIInChI=1S/C13H22N2O2/c1-3-5-14-13(11-4-7-16-10-11)12-9-15(2)6-8-17-12/h4,7,10,12-14H,3,5-6,8-9H2,1-2H3
InChIKeyXIQRPFYJLBPUCL-UHFFFAOYSA-N
XLogP1.65
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79703912
N-[(4-ethylmorpholin-2-yl)-(furan-3-yl)methyl]ethanamine
CID 79669655
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114729699
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 79092986) is N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)C1CN(C)CCO1.
What is the InChIKey of N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is XIQRPFYJLBPUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-14-13(11-4-7-16-10-11)12-9-15(2)6-8-17-12/h4,7,10,12-14H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79092986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).