N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

C11H14ClF3N2O — CID 107489225

IUPACN-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN(CCCl)CC(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2O/c1-18-10-4-2-3-9(16-10)7-17(6-5-12)8-11(13,14)15/h2-4H,5-8H2,1H3
InChIKeyOAIAUCYZPBWQKP-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.69
Rot. Bonds6

About N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 107489225) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID107489225
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC NameN-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN(CCCl)CC(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2O/c1-18-10-4-2-3-9(16-10)7-17(6-5-12)8-11(13,14)15/h2-4H,5-8H2,1H3
InChIKeyOAIAUCYZPBWQKP-UHFFFAOYSA-N
XLogP2.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
2-Methoxy-6-methylpyridine
CID 5324773
6-Methoxy-alpha-methyl-2-pyridinemethanamine
CID 59478634
(6-Methoxypyridin-2-yl)methanamine
CID 13882973
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2,2-Difluoro-2-(6-methoxypyridin-2-yl)ethan-1-amine
CID 112756663
3-(Chloromethyl)-6-methoxy-2-methylpyridine
CID 11206034
2-(Chloromethyl)-6-methoxypyridine
CID 17854228
6-Methoxypyridine-2-carboximidamide hydrochloride
CID 53484943
1-(2-Methoxy-6-(trifluoromethyl)pyridin-3-yl)methanamine
CID 58873546

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 107489225) is N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CN(CCCl)CC(F)(F)F)n1.
What is the InChIKey of N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is OAIAUCYZPBWQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-18-10-4-2-3-9(16-10)7-17(6-5-12)8-11(13,14)15/h2-4H,5-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 282.69 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107489225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).