2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline

C15H24N2O2 — CID 104957818

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
SMILESCC(C)Oc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1N
InChIInChI=1S/C15H24N2O2/c1-10(2)18-14-7-5-6-13(15(14)16)17-8-11(3)19-12(4)9-17/h5-7,10-12H,8-9,16H2,1-4H3/t11-,12+
InChIKeyKKQVFCANGFELSW-TXEJJXNPSA-N
MW264.37 g/mol
LogP2.67
Rot. Bonds3

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline (PubChem CID 104957818) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
PubChem CID104957818
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
SMILESCC(C)Oc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1N
InChIInChI=1S/C15H24N2O2/c1-10(2)18-14-7-5-6-13(15(14)16)17-8-11(3)19-12(4)9-17/h5-7,10-12H,8-9,16H2,1-4H3/t11-,12+
InChIKeyKKQVFCANGFELSW-TXEJJXNPSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742855
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
CID 104957789
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline
CID 97024254
3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110567363
2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
CID 113393421
(1R)-1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55184646
1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 43505903
4-(difluoromethoxy)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoroaniline
CID 104957827
5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline
CID 112737548
(2S,6R)-4-(2-cyclopropylphenyl)-2,6-dimethylmorpholine
CID 126517774
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 68507649

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline (CID 104957818) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline is CC(C)Oc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1N.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline?
The InChIKey is KKQVFCANGFELSW-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)18-14-7-5-6-13(15(14)16)17-8-11(3)19-12(4)9-17/h5-7,10-12H,8-9,16H2,1-4H3/t11-,12+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline has a molecular weight of 264.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline is sourced from PubChem (CID 104957818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).