5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline

C13H20N2O — CID 94894664

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
SMILESCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1N
InChIInChI=1S/C13H20N2O/c1-9-4-5-12(6-13(9)14)15-7-10(2)16-11(3)8-15/h4-6,10-11H,7-8,14H2,1-3H3/t10-,11+
InChIKeySGGAUKCACNQWMF-PHIMTYICSA-N
MW220.32 g/mol
LogP2.19
Rot. Bonds1

About 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline (PubChem CID 94894664) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
PubChem CID94894664
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
SMILESCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1N
InChIInChI=1S/C13H20N2O/c1-9-4-5-12(6-13(9)14)15-7-10(2)16-11(3)8-15/h4-6,10-11H,7-8,14H2,1-3H3/t10-,11+
InChIKeySGGAUKCACNQWMF-PHIMTYICSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
CID 66392486
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate
CID 61312863
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyridin-4-amine
CID 104957780
3-(3-amino-4-methylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102689126
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
CID 106750970
2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]ethanamine
CID 82290839
1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 55130361
4-(2,6-dimethylmorpholin-4-yl)-2-fluorobenzenecarbothioamide
CID 113295776
2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 114064893
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline (CID 94894664) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline is Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1N.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline?
The InChIKey is SGGAUKCACNQWMF-PHIMTYICSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-12(6-13(9)14)15-7-10(2)16-11(3)8-15/h4-6,10-11H,7-8,14H2,1-3H3/t10-,11+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline has a molecular weight of 220.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline is sourced from PubChem (CID 94894664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).