2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride

C12H17Cl2NO — CID 3066050

IUPAC2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride
SMILESCCC1(c2ccc(Cl)cc2)CNCCO1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-12(9-14-7-8-15-12)10-3-5-11(13)6-4-10;/h3-6,14H,2,7-9H2,1H3;1H
InChIKeyRBJROUHOUYSHRP-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.99
Rot. Bonds2

About 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride

2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride (PubChem CID 3066050) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride
PubChem CID3066050
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride
SMILESCCC1(c2ccc(Cl)cc2)CNCCO1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-12(9-14-7-8-15-12)10-3-5-11(13)6-4-10;/h3-6,14H,2,7-9H2,1H3;1H
InChIKeyRBJROUHOUYSHRP-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride (CID 3066050) is 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride is CCC1(c2ccc(Cl)cc2)CNCCO1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
The InChIKey is RBJROUHOUYSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-2-12(9-14-7-8-15-12)10-3-5-11(13)6-4-10;/h3-6,14H,2,7-9H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride is sourced from PubChem (CID 3066050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).