4-(1-phenylethyl)morpholine;hydrochloride

C12H18ClNO — CID 3057369

IUPAC4-(1-phenylethyl)morpholine;hydrochloride
SMILESCC(c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13;/h2-6,11H,7-10H2,1H3;1H
InChIKeyZLMYHPDUTPOOPH-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.50
Rot. Bonds2

About 4-(1-phenylethyl)morpholine;hydrochloride

4-(1-phenylethyl)morpholine;hydrochloride (PubChem CID 3057369) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-(1-phenylethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(1-phenylethyl)morpholine;hydrochloride
PubChem CID3057369
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-(1-phenylethyl)morpholine;hydrochloride
SMILESCC(c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13;/h2-6,11H,7-10H2,1H3;1H
InChIKeyZLMYHPDUTPOOPH-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
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CID 3246046
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
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3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222
2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride
CID 87063992
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride
CID 120596567
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)morpholine;hydrochloride?
The IUPAC name of 4-(1-phenylethyl)morpholine;hydrochloride (CID 3057369) is 4-(1-phenylethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(1-phenylethyl)morpholine;hydrochloride?
The canonical SMILES for 4-(1-phenylethyl)morpholine;hydrochloride is CC(c1ccccc1)N1CCOCC1.Cl.
What is the InChIKey of 4-(1-phenylethyl)morpholine;hydrochloride?
The InChIKey is ZLMYHPDUTPOOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13;/h2-6,11H,7-10H2,1H3;1H.
What are the key properties of 4-(1-phenylethyl)morpholine;hydrochloride?
4-(1-phenylethyl)morpholine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)morpholine;hydrochloride is sourced from PubChem (CID 3057369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).