2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate

C11H13ClFNO2 — CID 82533014

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
SMILESCC(=O)OCCNCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-8(15)16-6-5-14-7-9-10(12)3-2-4-11(9)13/h2-4,14H,5-7H2,1H3
InChIKeyPSQOMZKQNHKDMW-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.13
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate

2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate (PubChem CID 82533014) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
PubChem CID82533014
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
SMILESCC(=O)OCCNCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-8(15)16-6-5-14-7-9-10(12)3-2-4-11(9)13/h2-4,14H,5-7H2,1H3
InChIKeyPSQOMZKQNHKDMW-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate
CID 83211387
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
N-[(2-chloro-6-fluorophenyl)methyl]-6-methylsulfanylhexan-1-amine
CID 114124984
N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611732
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
CID 83209467
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate (CID 82533014) is 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate is CC(=O)OCCNCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate?
The InChIKey is PSQOMZKQNHKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-8(15)16-6-5-14-7-9-10(12)3-2-4-11(9)13/h2-4,14H,5-7H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate?
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate has a molecular weight of 245.68 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate is sourced from PubChem (CID 82533014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).