4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine

C17H26ClNO3 — CID 170869317

IUPAC4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)ccc1OCCCCl
InChIInChI=1S/C17H26ClNO3/c1-20-17-14-15(5-6-16(17)22-11-3-7-18)4-2-8-19-9-12-21-13-10-19/h5-6,14H,2-4,7-13H2,1H3
InChIKeyGDQCWFUAFURELI-UHFFFAOYSA-N
MW327.85 g/mol
LogP2.97
Rot. Bonds9

About 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine

4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine (PubChem CID 170869317) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
PubChem CID170869317
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)ccc1OCCCCl
InChIInChI=1S/C17H26ClNO3/c1-20-17-14-15(5-6-16(17)22-11-3-7-18)4-2-8-19-9-12-21-13-10-19/h5-6,14H,2-4,7-13H2,1H3
InChIKeyGDQCWFUAFURELI-UHFFFAOYSA-N
XLogP2.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane
CID 58000804
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine (CID 170869317) is 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine is COc1cc(CCCN2CCOCC2)ccc1OCCCCl.
What is the InChIKey of 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine?
The InChIKey is GDQCWFUAFURELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c1-20-17-14-15(5-6-16(17)22-11-3-7-18)4-2-8-19-9-12-21-13-10-19/h5-6,14H,2-4,7-13H2,1H3.
What are the key properties of 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine?
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine has a molecular weight of 327.85 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine is sourced from PubChem (CID 170869317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).