2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride

C12H15Cl2FN2O2 — CID 119315238

IUPAC2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H14ClFN2O2.ClH/c13-9-5-8(1-2-10(9)14)11-7-16(3-4-18-11)12(17)6-15;/h1-2,5,11H,3-4,6-7,15H2;1H
InChIKeyYTUBPERFMXDYOR-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.76
Rot. Bonds2

About 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride

2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride (PubChem CID 119315238) has the molecular formula C12H15Cl2FN2O2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
PubChem CID119315238
Molecular FormulaC12H15Cl2FN2O2
Molecular Weight309.17 g/mol
Exact Mass308.05
IUPAC Name2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H14ClFN2O2.ClH/c13-9-5-8(1-2-10(9)14)11-7-16(3-4-18-11)12(17)6-15;/h1-2,5,11H,3-4,6-7,15H2;1H
InChIKeyYTUBPERFMXDYOR-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 119042146
(2S)-2-amino-1-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-3,3-dimethylbutan-1-one
CID 99849922
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119769224
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
(3-aminopyrazin-2-yl)-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119110800
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668188
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride (CID 119315238) is 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCOC(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride?
The InChIKey is YTUBPERFMXDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2.ClH/c13-9-5-8(1-2-10(9)14)11-7-16(3-4-18-11)12(17)6-15;/h1-2,5,11H,3-4,6-7,15H2;1H.
What are the key properties of 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride?
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride has a molecular weight of 309.17 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 119315238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).