2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine

C10H13ClFNO2 — CID 103228959

IUPAC2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
SMILESCOCC(CN)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO2/c1-14-6-8(5-13)15-7-2-3-9(11)10(12)4-7/h2-4,8H,5-6,13H2,1H3
InChIKeyFBUQXMBPAJNMPQ-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.83
Rot. Bonds5

About 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine

2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine (PubChem CID 103228959) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
PubChem CID103228959
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
SMILESCOCC(CN)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO2/c1-14-6-8(5-13)15-7-2-3-9(11)10(12)4-7/h2-4,8H,5-6,13H2,1H3
InChIKeyFBUQXMBPAJNMPQ-UHFFFAOYSA-N
XLogP1.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
CID 82727291
3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine
CID 103228142
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
CID 82727583
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228708
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine (CID 103228959) is 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine is COCC(CN)Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine?
The InChIKey is FBUQXMBPAJNMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-14-6-8(5-13)15-7-2-3-9(11)10(12)4-7/h2-4,8H,5-6,13H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine?
2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine has a molecular weight of 233.67 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine is sourced from PubChem (CID 103228959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).