1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine

C9H18FNO2 — CID 83818042

IUPAC1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCOCC(CF)NCC1CCCO1
InChIInChI=1S/C9H18FNO2/c1-12-7-8(5-10)11-6-9-3-2-4-13-9/h8-9,11H,2-7H2,1H3
InChIKeyNNIOIMASORVRKD-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.74
Rot. Bonds6

About 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine

1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine (PubChem CID 83818042) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine
PubChem CID83818042
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCOCC(CF)NCC1CCCO1
InChIInChI=1S/C9H18FNO2/c1-12-7-8(5-10)11-6-9-3-2-4-13-9/h8-9,11H,2-7H2,1H3
InChIKeyNNIOIMASORVRKD-UHFFFAOYSA-N
XLogP0.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83819615
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
CID 81100857
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
2-(oxan-2-ylmethylamino)propane-1,3-diol
CID 65314164
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine (CID 83818042) is 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine is COCC(CF)NCC1CCCO1.
What is the InChIKey of 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine?
The InChIKey is NNIOIMASORVRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-12-7-8(5-10)11-6-9-3-2-4-13-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine?
1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine has a molecular weight of 191.25 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 83818042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).