N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C16H24N2O2 — CID 79171206

IUPACN-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCN1CCOC(COc2ccccc2CNC2CC2)C1
InChIInChI=1S/C16H24N2O2/c1-18-8-9-19-15(11-18)12-20-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,14-15,17H,6-12H2,1H3
InChIKeyUYBVIGKMXWELOD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds6

About N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 79171206) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID79171206
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCN1CCOC(COc2ccccc2CNC2CC2)C1
InChIInChI=1S/C16H24N2O2/c1-18-8-9-19-15(11-18)12-20-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,14-15,17H,6-12H2,1H3
InChIKeyUYBVIGKMXWELOD-UHFFFAOYSA-N
XLogP1.65
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 79171206) is N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine is CN1CCOC(COc2ccccc2CNC2CC2)C1.
What is the InChIKey of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is UYBVIGKMXWELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-8-9-19-15(11-18)12-20-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,14-15,17H,6-12H2,1H3.
What are the key properties of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 276.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79171206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).