[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride

C13H19Cl2FN2O2 — CID 120966941

IUPAC[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(CCOc2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C13H18ClFN2O2.ClH/c14-12-7-10(15)1-2-13(12)19-6-4-17-3-5-18-11(8-16)9-17;/h1-2,7,11H,3-6,8-9,16H2;1H
InChIKeyKCIFXXYCNPJOQU-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.94
Rot. Bonds5

About [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride

[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120966941) has the molecular formula C13H19Cl2FN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120966941
Molecular FormulaC13H19Cl2FN2O2
Molecular Weight325.21 g/mol
Exact Mass324.08
IUPAC Name[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(CCOc2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C13H18ClFN2O2.ClH/c14-12-7-10(15)1-2-13(12)19-6-4-17-3-5-18-11(8-16)9-17;/h1-2,7,11H,3-6,8-9,16H2;1H
InChIKeyKCIFXXYCNPJOQU-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120966865
1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39382567
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol
CID 111463147
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967322
2-[2-(2-ethylmorpholin-4-yl)ethoxy]aniline
CID 43562249
2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane
CID 82086347
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
3-[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 126771219
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride (CID 120966941) is [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(CCOc2ccc(F)cc2Cl)CCO1.
What is the InChIKey of [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is KCIFXXYCNPJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2.ClH/c14-12-7-10(15)1-2-13(12)19-6-4-17-3-5-18-11(8-16)9-17;/h1-2,7,11H,3-6,8-9,16H2;1H.
What are the key properties of [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 325.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120966941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).