2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine

C10H22FNO2 — CID 170082916

IUPAC2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine
SMILESCCCOCCOC(C)(C)C(F)CN
InChIInChI=1S/C10H22FNO2/c1-4-5-13-6-7-14-10(2,3)9(11)8-12/h9H,4-8,12H2,1-3H3
InChIKeyHPTDEMVRDORXES-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.50
Rot. Bonds8

About 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine

2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine (PubChem CID 170082916) has the molecular formula C10H22FNO2 and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine
PubChem CID170082916
Molecular FormulaC10H22FNO2
Molecular Weight207.29 g/mol
Exact Mass207.16
IUPAC Name2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine
SMILESCCCOCCOC(C)(C)C(F)CN
InChIInChI=1S/C10H22FNO2/c1-4-5-13-6-7-14-10(2,3)9(11)8-12/h9H,4-8,12H2,1-3H3
InChIKeyHPTDEMVRDORXES-UHFFFAOYSA-N
XLogP1.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine (CID 170082916) is 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine is CCCOCCOC(C)(C)C(F)CN.
What is the InChIKey of 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine?
The InChIKey is HPTDEMVRDORXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2/c1-4-5-13-6-7-14-10(2,3)9(11)8-12/h9H,4-8,12H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine?
2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-3-(2-propoxyethoxy)butan-1-amine is sourced from PubChem (CID 170082916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).