3-ethyl-4-phenylmorpholine

C12H17NO — CID 154695616

IUPAC3-ethyl-4-phenylmorpholine
SMILESCCC1COCCN1c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-11-10-14-9-8-13(11)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyVCSUHDZIKJUBPG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds2

About 3-ethyl-4-phenylmorpholine

3-ethyl-4-phenylmorpholine (PubChem CID 154695616) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethyl-4-phenylmorpholine.

Molecular Properties

Compound Name3-ethyl-4-phenylmorpholine
PubChem CID154695616
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethyl-4-phenylmorpholine
SMILESCCC1COCCN1c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-11-10-14-9-8-13(11)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyVCSUHDZIKJUBPG-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylmorpholin-3-yl)methanol
CID 91802000
(3R)-3-(methoxymethyl)-4-phenylmorpholine
CID 173472557
4-[4-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080615
(1R)-1-[4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 78939798
4-(3-ethylmorpholin-4-yl)benzenecarbothioamide
CID 43613424
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
(3R)-3,4-diphenylmorpholine
CID 22860790
1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine
CID 83122399
2-ethoxy-4-(3-ethylmorpholin-4-yl)aniline
CID 55234148

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phenylmorpholine?
The IUPAC name of 3-ethyl-4-phenylmorpholine (CID 154695616) is 3-ethyl-4-phenylmorpholine.
What is the SMILES notation for 3-ethyl-4-phenylmorpholine?
The canonical SMILES for 3-ethyl-4-phenylmorpholine is CCC1COCCN1c1ccccc1.
What is the InChIKey of 3-ethyl-4-phenylmorpholine?
The InChIKey is VCSUHDZIKJUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-11-10-14-9-8-13(11)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of 3-ethyl-4-phenylmorpholine?
3-ethyl-4-phenylmorpholine has a molecular weight of 191.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenylmorpholine is sourced from PubChem (CID 154695616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).