(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine

C17H24ClFN2O2 — CID 97234657

IUPAC(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine
SMILESFc1ccc(CNC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O2/c18-16-9-15(19)2-1-13(16)10-20-11-17(14-3-6-23-12-14)21-4-7-22-8-5-21/h1-2,9,14,17,20H,3-8,10-12H2/t14-,17+/m1/s1
InChIKeyZIGIZXWOJGLKPK-PBHICJAKSA-N
MW342.84 g/mol
LogP2.31
Rot. Bonds6

About (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine

(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine (PubChem CID 97234657) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine
PubChem CID97234657
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine
SMILESFc1ccc(CNC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O2/c18-16-9-15(19)2-1-13(16)10-20-11-17(14-3-6-23-12-14)21-4-7-22-8-5-21/h1-2,9,14,17,20H,3-8,10-12H2/t14-,17+/m1/s1
InChIKeyZIGIZXWOJGLKPK-PBHICJAKSA-N
XLogP2.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine with MolForge

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 47052353
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 47030614
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
N-(dicyclopropylmethyl)-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 75382652
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
2-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
CID 55602811
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642370

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine?
The IUPAC name of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine (CID 97234657) is (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine.
What is the SMILES notation for (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine?
The canonical SMILES for (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine is Fc1ccc(CNC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1.
What is the InChIKey of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine?
The InChIKey is ZIGIZXWOJGLKPK-PBHICJAKSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c18-16-9-15(19)2-1-13(16)10-20-11-17(14-3-6-23-12-14)21-4-7-22-8-5-21/h1-2,9,14,17,20H,3-8,10-12H2/t14-,17+/m1/s1.
What are the key properties of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine?
(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine has a molecular weight of 342.84 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine is sourced from PubChem (CID 97234657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).