[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride

C13H17Cl2FN2O2 — CID 86780110

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
SMILESCC(N)C1CN(C(=O)c2ccc(F)cc2Cl)CCO1.Cl
InChIInChI=1S/C13H16ClFN2O2.ClH/c1-8(16)12-7-17(4-5-19-12)13(18)10-3-2-9(15)6-11(10)14;/h2-3,6,8,12H,4-5,7,16H2,1H3;1H
InChIKeyFIIGJDIFKYBQOP-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.09
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride

[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride (PubChem CID 86780110) has the molecular formula C13H17Cl2FN2O2 and a molecular weight of 323.20 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
PubChem CID86780110
Molecular FormulaC13H17Cl2FN2O2
Molecular Weight323.20 g/mol
Exact Mass322.07
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
SMILESCC(N)C1CN(C(=O)c2ccc(F)cc2Cl)CCO1.Cl
InChIInChI=1S/C13H16ClFN2O2.ClH/c1-8(16)12-7-17(4-5-19-12)13(18)10-3-2-9(15)6-11(10)14;/h2-3,6,8,12H,4-5,7,16H2,1H3;1H
InChIKeyFIIGJDIFKYBQOP-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823
(2S)-2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]propan-1-one
CID 119307814
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
[2-(1-aminoethyl)morpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 81484092
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride (CID 86780110) is [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride is CC(N)C1CN(C(=O)c2ccc(F)cc2Cl)CCO1.Cl.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
The InChIKey is FIIGJDIFKYBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2.ClH/c1-8(16)12-7-17(4-5-19-12)13(18)10-3-2-9(15)6-11(10)14;/h2-3,6,8,12H,4-5,7,16H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride has a molecular weight of 323.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 86780110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).