3-(2-phenylethyl)morpholine

C12H17NO — CID 54013840

IUPAC3-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2COCCN2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-14-9-8-13-12/h1-5,12-13H,6-10H2
InChIKeyZURODHAEBZHODQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.61
Rot. Bonds3

About 3-(2-phenylethyl)morpholine

3-(2-phenylethyl)morpholine (PubChem CID 54013840) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name3-(2-phenylethyl)morpholine
PubChem CID54013840
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2COCCN2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-14-9-8-13-12/h1-5,12-13H,6-10H2
InChIKeyZURODHAEBZHODQ-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
N-(morpholin-3-ylmethyl)-4-phenylbutanamide
CID 103548407
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
2-(2-phenylethyl)piperazine;dihydrochloride
CID 67602755
3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
CID 116999266
3-(benzenesulfonylmethyl)morpholine
CID 117037196

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)morpholine?
The IUPAC name of 3-(2-phenylethyl)morpholine (CID 54013840) is 3-(2-phenylethyl)morpholine.
What is the SMILES notation for 3-(2-phenylethyl)morpholine?
The canonical SMILES for 3-(2-phenylethyl)morpholine is c1ccc(CCC2COCCN2)cc1.
What is the InChIKey of 3-(2-phenylethyl)morpholine?
The InChIKey is ZURODHAEBZHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-14-9-8-13-12/h1-5,12-13H,6-10H2.
What are the key properties of 3-(2-phenylethyl)morpholine?
3-(2-phenylethyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)morpholine is sourced from PubChem (CID 54013840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).