2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine

C15H20ClNO3 — CID 136589243

IUPAC2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine
SMILESClc1ccccc1C1CN(C[C@H]2COCCO2)CCO1
InChIInChI=1S/C15H20ClNO3/c16-14-4-2-1-3-13(14)15-10-17(5-6-20-15)9-12-11-18-7-8-19-12/h1-4,12,15H,5-11H2/t12-,15?/m0/s1
InChIKeyQEBBKMQEHXPCFR-SFVWDYPZSA-N
MW297.78 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine

2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine (PubChem CID 136589243) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine
PubChem CID136589243
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine
SMILESClc1ccccc1C1CN(C[C@H]2COCCO2)CCO1
InChIInChI=1S/C15H20ClNO3/c16-14-4-2-1-3-13(14)15-10-17(5-6-20-15)9-12-11-18-7-8-19-12/h1-4,12,15H,5-11H2/t12-,15?/m0/s1
InChIKeyQEBBKMQEHXPCFR-SFVWDYPZSA-N
XLogP2.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
CID 95341250
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795
(2S)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304387
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
(2R)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304386
2-(1,4-dioxan-2-ylmethyl)-1,3-dihydroisoindole
CID 166602231
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 98448962
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine?
The IUPAC name of 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine (CID 136589243) is 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine is Clc1ccccc1C1CN(C[C@H]2COCCO2)CCO1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine?
The InChIKey is QEBBKMQEHXPCFR-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-14-4-2-1-3-13(14)15-10-17(5-6-20-15)9-12-11-18-7-8-19-12/h1-4,12,15H,5-11H2/t12-,15?/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine?
2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine has a molecular weight of 297.78 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine is sourced from PubChem (CID 136589243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).