N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine

C18H30N2O — CID 102744803

IUPACN-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CC(C)(C)OC(C)(C)C2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-7-19-11-15-8-9-16(14(2)10-15)20-12-17(3,4)21-18(5,6)13-20/h8-10,19H,7,11-13H2,1-6H3
InChIKeySHZHFDWBHKJUTP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.50
Rot. Bonds4

About N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine

N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine (PubChem CID 102744803) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine
PubChem CID102744803
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CC(C)(C)OC(C)(C)C2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-7-19-11-15-8-9-16(14(2)10-15)20-12-17(3,4)21-18(5,6)13-20/h8-10,19H,7,11-13H2,1-6H3
InChIKeySHZHFDWBHKJUTP-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine (CID 102744803) is N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine is CCNCc1ccc(N2CC(C)(C)OC(C)(C)C2)c(C)c1.
What is the InChIKey of N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine?
The InChIKey is SHZHFDWBHKJUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-19-11-15-8-9-16(14(2)10-15)20-12-17(3,4)21-18(5,6)13-20/h8-10,19H,7,11-13H2,1-6H3.
What are the key properties of N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine?
N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 102744803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).