2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine

C11H14Cl2FN — CID 63387036

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CCCl)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H14Cl2FN/c1-2-15(7-6-12)8-9-10(13)4-3-5-11(9)14/h3-5H,2,6-8H2,1H3
InChIKeyYIZXLUYXYMYZLW-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.54
Rot. Bonds5

About 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine (PubChem CID 63387036) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
PubChem CID63387036
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CCCl)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H14Cl2FN/c1-2-15(7-6-12)8-9-10(13)4-3-5-11(9)14/h3-5H,2,6-8H2,1H3
InChIKeyYIZXLUYXYMYZLW-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
3-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54979600
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 77095534
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 63389222
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 107650651
N-[(2-chloro-6-fluorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720745
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 77097645
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine
CID 125116042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine (CID 63387036) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine is CCN(CCCl)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine?
The InChIKey is YIZXLUYXYMYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FN/c1-2-15(7-6-12)8-9-10(13)4-3-5-11(9)14/h3-5H,2,6-8H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine has a molecular weight of 250.14 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 63387036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).