N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

C17H26N2O — CID 61423904

IUPACN-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1COC(C)CN1c1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-16-12-20-13(2)11-19(16)17-8-4-14(5-9-17)10-18-15-6-7-15/h4-5,8-9,13,15-16,18H,3,6-7,10-12H2,1-2H3
InChIKeyGCYYUYDVKPPYLU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds5

About N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 61423904) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID61423904
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1COC(C)CN1c1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-16-12-20-13(2)11-19(16)17-8-4-14(5-9-17)10-18-15-6-7-15/h4-5,8-9,13,15-16,18H,3,6-7,10-12H2,1-2H3
InChIKeyGCYYUYDVKPPYLU-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 43544881
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011
5-ethyl-2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81215510
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 55059279
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
CID 62287071
[4-(5-ethyl-2-methylmorpholin-4-yl)-3-methylphenyl]methanamine
CID 60929563
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
N-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)pyridin-3-amine
CID 113423783

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (CID 61423904) is N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is CCC1COC(C)CN1c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is GCYYUYDVKPPYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-16-12-20-13(2)11-19(16)17-8-4-14(5-9-17)10-18-15-6-7-15/h4-5,8-9,13,15-16,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61423904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).