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

C12H17ClN2O — CID 28820003

IUPAC5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
SMILESC[C@@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)O1
InChIInChI=1S/C12H17ClN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3/t8-,9+
InChIKeyVGTBDTRAZIEEKB-DTORHVGOSA-N
MW240.73 g/mol
LogP2.54
Rot. Bonds1

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

5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline (PubChem CID 28820003) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
PubChem CID28820003
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
SMILESC[C@@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)O1
InChIInChI=1S/C12H17ClN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3/t8-,9+
InChIKeyVGTBDTRAZIEEKB-DTORHVGOSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.54
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

5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline
CID 28605520
5-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 16772686
5-chloro-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543007
5-chloro-2-(2-methyl-1,4-oxazepan-4-yl)aniline
CID 62987436
4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline
CID 114088890
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline
CID 112737548
2-(2,6-dimethylmorpholin-4-yl)-5-methylsulfonylaniline
CID 43447927
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloroaniline
CID 115558894
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline?
The IUPAC name of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline (CID 28820003) is 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline.
What is the SMILES notation for 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline?
The canonical SMILES for 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline is C[C@@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)O1.
What is the InChIKey of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline?
The InChIKey is VGTBDTRAZIEEKB-DTORHVGOSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3/t8-,9+.
What are the key properties of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline?
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline has a molecular weight of 240.73 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline is sourced from PubChem (CID 28820003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).