N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine

C16H25ClN2O2 — CID 63058796

IUPACN-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCC1CN(c2cccc(Cl)c2CNCCOC)CCO1
InChIInChI=1S/C16H25ClN2O2/c1-3-13-12-19(8-10-21-13)16-6-4-5-15(17)14(16)11-18-7-9-20-2/h4-6,13,18H,3,7-12H2,1-2H3
InChIKeyJVMUONKKZXOEDL-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.69
Rot. Bonds7

About N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine

N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63058796) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63058796
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCC1CN(c2cccc(Cl)c2CNCCOC)CCO1
InChIInChI=1S/C16H25ClN2O2/c1-3-13-12-19(8-10-21-13)16-6-4-5-15(17)14(16)11-18-7-9-20-2/h4-6,13,18H,3,7-12H2,1-2H3
InChIKeyJVMUONKKZXOEDL-UHFFFAOYSA-N
XLogP2.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine (CID 63058796) is N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine is CCC1CN(c2cccc(Cl)c2CNCCOC)CCO1.
What is the InChIKey of N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is JVMUONKKZXOEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-13-12-19(8-10-21-13)16-6-4-5-15(17)14(16)11-18-7-9-20-2/h4-6,13,18H,3,7-12H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 312.84 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63058796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).