(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride

C8H17Cl2NO — CID 69418164

IUPAC(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride
SMILESC[C@H]1COC[C@H](C)N1CCCl.Cl
InChIInChI=1S/C8H16ClNO.ClH/c1-7-5-11-6-8(2)10(7)4-3-9;/h7-8H,3-6H2,1-2H3;1H/t7-,8-;/m0./s1
InChIKeyWWYOWRITJYFWIF-WSZWBAFRSA-N
MW214.14 g/mol
LogP1.76
Rot. Bonds2

About (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride

(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride (PubChem CID 69418164) has the molecular formula C8H17Cl2NO and a molecular weight of 214.14 g/mol. Its IUPAC name is (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride
PubChem CID69418164
Molecular FormulaC8H17Cl2NO
Molecular Weight214.14 g/mol
Exact Mass213.07
IUPAC Name(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride
SMILESC[C@H]1COC[C@H](C)N1CCCl.Cl
InChIInChI=1S/C8H16ClNO.ClH/c1-7-5-11-6-8(2)10(7)4-3-9;/h7-8H,3-6H2,1-2H3;1H/t7-,8-;/m0./s1
InChIKeyWWYOWRITJYFWIF-WSZWBAFRSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride?
The IUPAC name of (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride (CID 69418164) is (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride.
What is the SMILES notation for (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride?
The canonical SMILES for (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride is C[C@H]1COC[C@H](C)N1CCCl.Cl.
What is the InChIKey of (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride?
The InChIKey is WWYOWRITJYFWIF-WSZWBAFRSA-N. The full InChI is InChI=1S/C8H16ClNO.ClH/c1-7-5-11-6-8(2)10(7)4-3-9;/h7-8H,3-6H2,1-2H3;1H/t7-,8-;/m0./s1.
What are the key properties of (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride?
(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride has a molecular weight of 214.14 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 69418164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).