(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine

C16H24ClNO — CID 129268171

IUPAC(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc(C(C)(C)C)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C16H24ClNO/c1-11-9-18(10-12(2)19-11)15-7-6-13(8-14(15)17)16(3,4)5/h6-8,11-12H,9-10H2,1-5H3/t11-,12+
InChIKeyQUPQHQASNHCZNM-TXEJJXNPSA-N
MW281.83 g/mol
LogP4.25
Rot. Bonds1

About (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine

(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine (PubChem CID 129268171) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine
PubChem CID129268171
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc(C(C)(C)C)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C16H24ClNO/c1-11-9-18(10-12(2)19-11)15-7-6-13(8-14(15)17)16(3,4)5/h6-8,11-12H,9-10H2,1-5H3/t11-,12+
InChIKeyQUPQHQASNHCZNM-TXEJJXNPSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
CID 129268317
3-chloro-4-(2,6-dimethylmorpholin-4-yl)benzonitrile
CID 63088038
(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 78939185
(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-chlorophenyl]-2,6-dimethylmorpholine
CID 161404706
4-(4-tert-butyl-3-chlorophenyl)-2,6-dimethylmorpholine
CID 129268374
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzaldehyde
CID 18455608
2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168602298
N-[[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 81147425
2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
CID 168755979
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine (CID 129268171) is (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2ccc(C(C)(C)C)cc2Cl)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine?
The InChIKey is QUPQHQASNHCZNM-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11-9-18(10-12(2)19-11)15-7-6-13(8-14(15)17)16(3,4)5/h6-8,11-12H,9-10H2,1-5H3/t11-,12+.
What are the key properties of (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine has a molecular weight of 281.83 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 129268171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).