(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).