3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

C15H22FNO2 — CID 2924283

IUPAC3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)COc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-12(9-17-10-13-5-4-8-18-13)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyOGHRAOHFMRHTKI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.61
Rot. Bonds7

About 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 2924283) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID2924283
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)COc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-12(9-17-10-13-5-4-8-18-13)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyOGHRAOHFMRHTKI-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 2924283) is 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)COc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is OGHRAOHFMRHTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(9-17-10-13-5-4-8-18-13)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3.
What are the key properties of 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 2924283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).