(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine

C18H19Cl2NO2 — CID 127031497

IUPAC(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESClc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c19-17-7-6-14(10-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyHFYVRKRSPDIIGS-INIZCTEOSA-N
MW352.26 g/mol
LogP4.27
Rot. Bonds5

About (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine

(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine (PubChem CID 127031497) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
PubChem CID127031497
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESClc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c19-17-7-6-14(10-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyHFYVRKRSPDIIGS-INIZCTEOSA-N
XLogP4.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
6-[[2-(phenoxymethyl)morpholin-4-yl]methyl]pyridazin-3-amine
CID 136570310
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587
4-ethyl-2-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]morpholine
CID 44581056
4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74234750
4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
CID 42861424

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine (CID 127031497) is (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine is Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl.
What is the InChIKey of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine?
The InChIKey is HFYVRKRSPDIIGS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c19-17-7-6-14(10-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1.
What are the key properties of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine has a molecular weight of 352.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127031497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).