2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine

C12H17ClFNO2 — CID 114264334

IUPAC2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Oc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO2/c1-3-15-7-10(8-16-2)17-12-6-9(14)4-5-11(12)13/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyYHEPYPUSXIAHER-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine

2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 114264334) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
PubChem CID114264334
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Oc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO2/c1-3-15-7-10(8-16-2)17-12-6-9(14)4-5-11(12)13/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyYHEPYPUSXIAHER-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 107661071
2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228050
2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 103228055
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228797
2-(4-bromo-2,5-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 107661120
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
N-[(2-chloro-5-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 102615629
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
3-(2-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114264333
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine (CID 114264334) is 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)Oc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is YHEPYPUSXIAHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c1-3-15-7-10(8-16-2)17-12-6-9(14)4-5-11(12)13/h4-6,10,15H,3,7-8H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 261.72 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 114264334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).