4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride

C16H24Cl2NO2- — CID 53313942

IUPAC4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
SMILESCCCCCOc1ccc(Cl)cc1CN1CCOCC1.[Cl-]
InChIInChI=1S/C16H24ClNO2.ClH/c1-2-3-4-9-20-16-6-5-15(17)12-14(16)13-18-7-10-19-11-8-18;/h5-6,12H,2-4,7-11,13H2,1H3;1H/p-1
InChIKeyIBFLUOVGAKPONA-UHFFFAOYSA-M
MW333.28 g/mol
LogP0.75
Rot. Bonds7

About 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride

4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride (PubChem CID 53313942) has the molecular formula C16H24Cl2NO2- and a molecular weight of 333.28 g/mol. Its IUPAC name is 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride.

Molecular Properties

Compound Name4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
PubChem CID53313942
Molecular FormulaC16H24Cl2NO2-
Molecular Weight333.28 g/mol
Exact Mass332.12
IUPAC Name4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
SMILESCCCCCOc1ccc(Cl)cc1CN1CCOCC1.[Cl-]
InChIInChI=1S/C16H24ClNO2.ClH/c1-2-3-4-9-20-16-6-5-15(17)12-14(16)13-18-7-10-19-11-8-18;/h5-6,12H,2-4,7-11,13H2,1H3;1H/p-1
InChIKeyIBFLUOVGAKPONA-UHFFFAOYSA-M
XLogP0.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholin-4-ium chloride
CID 44655465
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735
[1-[(2-butoxy-5-chlorophenyl)methyl]pyrrolidin-3-yl]methanamine;ethane
CID 171625215
4-[[2-[5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-yl]-3H-benzimidazol-5-yl]methyl]morpholine
CID 71051988
2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine
CID 171625093
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409153
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride?
The IUPAC name of 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride (CID 53313942) is 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride.
What is the SMILES notation for 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride?
The canonical SMILES for 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride is CCCCCOc1ccc(Cl)cc1CN1CCOCC1.[Cl-].
What is the InChIKey of 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride?
The InChIKey is IBFLUOVGAKPONA-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24ClNO2.ClH/c1-2-3-4-9-20-16-6-5-15(17)12-14(16)13-18-7-10-19-11-8-18;/h5-6,12H,2-4,7-11,13H2,1H3;1H/p-1.
What are the key properties of 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride?
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride has a molecular weight of 333.28 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride is sourced from PubChem (CID 53313942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).