1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine

C7H16FNO — CID 123524742

IUPAC1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine
SMILESCCOCC(CF)N(C)C
InChIInChI=1S/C7H16FNO/c1-4-10-6-7(5-8)9(2)3/h7H,4-6H2,1-3H3
InChIKeyNHCSAWMLRRONKA-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.92
Rot. Bonds5

About 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine

1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine (PubChem CID 123524742) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine
PubChem CID123524742
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine
SMILESCCOCC(CF)N(C)C
InChIInChI=1S/C7H16FNO/c1-4-10-6-7(5-8)9(2)3/h7H,4-6H2,1-3H3
InChIKeyNHCSAWMLRRONKA-UHFFFAOYSA-N
XLogP0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10103319
1-Ethoxypropan-2-yl(trimethyl)azanium iodide
CID 90679391
Fluoroethylcholine
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2-(3-Fluoropropoxy)ethyl-trimethylazanium
CID 87770911
Isopropyl-(2-methoxy-ethyl)-methyl-amine
CID 239832
Diisopropyl-(2-methoxy-ethyl)-amine
CID 20079969
Ethyl-isopropyl-(2-methoxy-ethyl)-amine
CID 23559570
2-fluoro-N-(2-methoxyethyl)-N-methylpropan-1-amine
CID 44521773
1-methoxy-N,N-dimethylbutan-2-amine
CID 45087490
N-(2-(2-(dimethylamino)ethoxy)ethyl)-N-isopropylpropan-2-amine
CID 57872308
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
3-(Fluoromethyl)-4-methylmorpholine
CID 83854278

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine (CID 123524742) is 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine is CCOCC(CF)N(C)C.
What is the InChIKey of 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine?
The InChIKey is NHCSAWMLRRONKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-4-10-6-7(5-8)9(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine?
1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine has a molecular weight of 149.21 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-fluoro-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 123524742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).