(2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine

C14H20ClNO — CID 59545681

IUPAC(2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine
SMILESCCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-4-12-5-6-14(13(15)7-12)16-8-10(2)17-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3/t10-,11+
InChIKeyYDONGLPWZANTJB-PHIMTYICSA-N
MW253.77 g/mol
LogP3.52
Rot. Bonds2

About (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine

(2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine (PubChem CID 59545681) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine
PubChem CID59545681
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine
SMILESCCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-4-12-5-6-14(13(15)7-12)16-8-10(2)17-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3/t10-,11+
InChIKeyYDONGLPWZANTJB-PHIMTYICSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine (CID 59545681) is (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine is CCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine?
The InChIKey is YDONGLPWZANTJB-PHIMTYICSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-12-5-6-14(13(15)7-12)16-8-10(2)17-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3/t10-,11+.
What are the key properties of (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine has a molecular weight of 253.77 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(2-chloro-4-ethylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59545681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).