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

C16H26N2O2 — CID 63058970

IUPACN-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCC1CN(c2ccc(CNCCOC)cc2)CCO1
InChIInChI=1S/C16H26N2O2/c1-3-16-13-18(9-11-20-16)15-6-4-14(5-7-15)12-17-8-10-19-2/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyWMBZIOUXARAFSF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds7

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

N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63058970) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63058970
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCC1CN(c2ccc(CNCCOC)cc2)CCO1
InChIInChI=1S/C16H26N2O2/c1-3-16-13-18(9-11-20-16)15-6-4-14(5-7-15)12-17-8-10-19-2/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyWMBZIOUXARAFSF-UHFFFAOYSA-N
XLogP2.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine (CID 63058970) is N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine is CCC1CN(c2ccc(CNCCOC)cc2)CCO1.
What is the InChIKey of N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is WMBZIOUXARAFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-16-13-18(9-11-20-16)15-6-4-14(5-7-15)12-17-8-10-19-2/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63058970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).