N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine

C14H30FNO2 — CID 138461002

IUPACN-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)COCCCOC(C)(C)C
InChIInChI=1S/C14H30FNO2/c1-13(2,3)16-10-12(15)11-17-8-7-9-18-14(4,5)6/h12,16H,7-11H2,1-6H3
InChIKeyONHRCAZCMDRYEY-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.93
Rot. Bonds8

About N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine (PubChem CID 138461002) has the molecular formula C14H30FNO2 and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine
PubChem CID138461002
Molecular FormulaC14H30FNO2
Molecular Weight263.40 g/mol
Exact Mass263.23
IUPAC NameN-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)COCCCOC(C)(C)C
InChIInChI=1S/C14H30FNO2/c1-13(2,3)16-10-12(15)11-17-8-7-9-18-14(4,5)6/h12,16H,7-11H2,1-6H3
InChIKeyONHRCAZCMDRYEY-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.93
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 N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine (CID 138461002) is N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)COCCCOC(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is ONHRCAZCMDRYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FNO2/c1-13(2,3)16-10-12(15)11-17-8-7-9-18-14(4,5)6/h12,16H,7-11H2,1-6H3.
What are the key properties of N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 263.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 138461002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).