N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine

C15H24N2O — CID 93007627

IUPACN-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-4-16-9-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3/t12-,13+
InChIKeyRPMUBCNIYYYSCB-BETUJISGSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds4

About N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine

N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine (PubChem CID 93007627) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
PubChem CID93007627
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-4-16-9-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3/t12-,13+
InChIKeyRPMUBCNIYYYSCB-BETUJISGSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
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'}

Analyze N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

1-[4-(ethylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670405
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine
CID 110823414
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
N-[[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]methyl]ethanamine
CID 104961014
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine (CID 93007627) is N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine is CCNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine?
The InChIKey is RPMUBCNIYYYSCB-BETUJISGSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-16-9-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3/t12-,13+.
What are the key properties of N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine?
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine is sourced from PubChem (CID 93007627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).