1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine

C10H12ClF3N2O — CID 163278599

IUPAC1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cc(Cl)c(OC)cn1)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-3-15-9(10(12,13)14)7-4-6(11)8(17-2)5-16-7/h4-5,9,15H,3H2,1-2H3
InChIKeyHOUUGJFDEDIYLP-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine

1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 163278599) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID163278599
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cc(Cl)c(OC)cn1)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-3-15-9(10(12,13)14)7-4-6(11)8(17-2)5-16-7/h4-5,9,15H,3H2,1-2H3
InChIKeyHOUUGJFDEDIYLP-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43490252
N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66204962
N-ethyl-2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanamine
CID 83057070
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 65022560
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 168898781
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
N-[2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]propan-1-amine
CID 66204572
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
1-(4-chloro-3-methoxyphenyl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 79698267
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine (CID 163278599) is 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1cc(Cl)c(OC)cn1)C(F)(F)F.
What is the InChIKey of 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is HOUUGJFDEDIYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-3-15-9(10(12,13)14)7-4-6(11)8(17-2)5-16-7/h4-5,9,15H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 268.67 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 163278599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).