1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine

C12H18FNO — CID 115905482

IUPAC1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)COc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)14-10(3)8-15-12-6-4-5-11(13)7-12/h4-7,9-10,14H,8H2,1-3H3
InChIKeyVQRGTQGKNKMNAA-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.59
Rot. Bonds5

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

1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine (PubChem CID 115905482) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
PubChem CID115905482
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)COc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)14-10(3)8-15-12-6-4-5-11(13)7-12/h4-7,9-10,14H,8H2,1-3H3
InChIKeyVQRGTQGKNKMNAA-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine (CID 115905482) is 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine is CC(C)NC(C)COc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine?
The InChIKey is VQRGTQGKNKMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)14-10(3)8-15-12-6-4-5-11(13)7-12/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine?
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115905482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).