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

C17H28N2O2 — CID 62438935

IUPACN-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCN2CCOC(C)C2)c1
InChIInChI=1S/C17H28N2O2/c1-3-7-18-13-16-5-4-6-17(12-16)21-11-9-19-8-10-20-15(2)14-19/h4-6,12,15,18H,3,7-11,13-14H2,1-2H3
InChIKeyXVJDRIJYXZIVCL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.29
Rot. Bonds8

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

N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62438935) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62438935
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCN2CCOC(C)C2)c1
InChIInChI=1S/C17H28N2O2/c1-3-7-18-13-16-5-4-6-17(12-16)21-11-9-19-8-10-20-15(2)14-19/h4-6,12,15,18H,3,7-11,13-14H2,1-2H3
InChIKeyXVJDRIJYXZIVCL-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
CID 43288608
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 66370228
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine (CID 62438935) is N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCN2CCOC(C)C2)c1.
What is the InChIKey of N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is XVJDRIJYXZIVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-7-18-13-16-5-4-6-17(12-16)21-11-9-19-8-10-20-15(2)14-19/h4-6,12,15,18H,3,7-11,13-14H2,1-2H3.
What are the key properties of N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine?
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62438935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).