2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine

C15H21ClN2O2 — CID 117478225

IUPAC2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
SMILESCN1CCC(Oc2ccc(C3CNCCO3)cc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-18-6-4-12(10-18)20-14-3-2-11(8-13(14)16)15-9-17-5-7-19-15/h2-3,8,12,15,17H,4-7,9-10H2,1H3
InChIKeyITDQJSDXMRZCPZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.08
Rot. Bonds3

About 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine

2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine (PubChem CID 117478225) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine.

Molecular Properties

Compound Name2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
PubChem CID117478225
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
SMILESCN1CCC(Oc2ccc(C3CNCCO3)cc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-18-6-4-12(10-18)20-14-3-2-11(8-13(14)16)15-9-17-5-7-19-15/h2-3,8,12,15,17H,4-7,9-10H2,1H3
InChIKeyITDQJSDXMRZCPZ-UHFFFAOYSA-N
XLogP2.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine
CID 161435196
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
CID 117432500
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117456013
2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine
CID 117456588

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine?
The IUPAC name of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine (CID 117478225) is 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine.
What is the SMILES notation for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine?
The canonical SMILES for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine is CN1CCC(Oc2ccc(C3CNCCO3)cc2Cl)C1.
What is the InChIKey of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine?
The InChIKey is ITDQJSDXMRZCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18-6-4-12(10-18)20-14-3-2-11(8-13(14)16)15-9-17-5-7-19-15/h2-3,8,12,15,17H,4-7,9-10H2,1H3.
What are the key properties of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine?
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine has a molecular weight of 296.80 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine is sourced from PubChem (CID 117478225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).