N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine

C12H26FNO2 — CID 161286344

IUPACN-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
SMILESCCCOCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C12H26FNO2/c1-5-6-15-7-8-16-10-11(13)9-14-12(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyFHWRAHJTCQHTHP-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.16
Rot. Bonds9

About N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine (PubChem CID 161286344) has the molecular formula C12H26FNO2 and a molecular weight of 235.34 g/mol. Its IUPAC name is N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
PubChem CID161286344
Molecular FormulaC12H26FNO2
Molecular Weight235.34 g/mol
Exact Mass235.19
IUPAC NameN-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
SMILESCCCOCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C12H26FNO2/c1-5-6-15-7-8-16-10-11(13)9-14-12(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyFHWRAHJTCQHTHP-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine (CID 161286344) is N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine is CCCOCCOCC(F)CNC(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is FHWRAHJTCQHTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO2/c1-5-6-15-7-8-16-10-11(13)9-14-12(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 235.34 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 161286344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).