2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

C13H19ClFNO2 — CID 103228708

IUPAC2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFNO2/c1-9(2)16-7-11(8-17-3)18-10-4-5-13(15)12(14)6-10/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyMKFCTEUWIVZZHB-UHFFFAOYSA-N
MW275.75 g/mol
LogP2.87
Rot. Bonds7

About 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103228708) has the molecular formula C13H19ClFNO2 and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103228708
Molecular FormulaC13H19ClFNO2
Molecular Weight275.75 g/mol
Exact Mass275.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFNO2/c1-9(2)16-7-11(8-17-3)18-10-4-5-13(15)12(14)6-10/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyMKFCTEUWIVZZHB-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine
CID 103228196
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368479
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228503
2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
CID 103228959
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103228708) is 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is MKFCTEUWIVZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO2/c1-9(2)16-7-11(8-17-3)18-10-4-5-13(15)12(14)6-10/h4-6,9,11,16H,7-8H2,1-3H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 275.75 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103228708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).