4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine

C17H24Cl2N2O — CID 54767241

IUPAC4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine
SMILESClc1ccc(C(CCN2CCOCC2)N2CCCC2)cc1Cl
InChIInChI=1S/C17H24Cl2N2O/c18-15-4-3-14(13-16(15)19)17(21-6-1-2-7-21)5-8-20-9-11-22-12-10-20/h3-4,13,17H,1-2,5-12H2
InChIKeyUPVLRNUPSLZGHM-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.85
Rot. Bonds5

About 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine

4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine (PubChem CID 54767241) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine
PubChem CID54767241
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine
SMILESClc1ccc(C(CCN2CCOCC2)N2CCCC2)cc1Cl
InChIInChI=1S/C17H24Cl2N2O/c18-15-4-3-14(13-16(15)19)17(21-6-1-2-7-21)5-8-20-9-11-22-12-10-20/h3-4,13,17H,1-2,5-12H2
InChIKeyUPVLRNUPSLZGHM-UHFFFAOYSA-N
XLogP3.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)morpholine
CID 53323762
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 54766009
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine
CID 54767242
3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 89437491
4-(3,4-Dichlorophenethyl)Morpholine
CID 71716507
4-benzyl-1-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-3,6-dihydro-2H-pyridine
CID 118714017
4-[(2,3-Dichlorophenyl)methyl]morpholine
CID 782574
(3,4-Dichlorophenyl)(morpholino)methanethione
CID 895402
2-(4-Chlorophenyl)-2-morpholinoacetonitrile
CID 591795
Morpholine, 4-(1-(p-chlorophenyl)butyl)-, hydrochloride
CID 3057363
1-[(3,4-Dichlorophenyl)methyl]-3-[1-[(3,4-dichlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]piperidine
CID 54599875

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine (CID 54767241) is 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine is Clc1ccc(C(CCN2CCOCC2)N2CCCC2)cc1Cl.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine?
The InChIKey is UPVLRNUPSLZGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c18-15-4-3-14(13-16(15)19)17(21-6-1-2-7-21)5-8-20-9-11-22-12-10-20/h3-4,13,17H,1-2,5-12H2.
What are the key properties of 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine?
4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine has a molecular weight of 343.30 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine is sourced from PubChem (CID 54767241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).