N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine

C14H30FNO3 — CID 142616381

IUPACN-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCOCCOCCCCF
InChIInChI=1S/C14H30FNO3/c1-14(2)13-16-6-8-18-10-12-19-11-9-17-7-4-3-5-15/h14,16H,3-13H2,1-2H3
InChIKeyPAYCCOXZZCYKSE-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.03
Rot. Bonds15

About N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 142616381) has the molecular formula C14H30FNO3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID142616381
Molecular FormulaC14H30FNO3
Molecular Weight279.40 g/mol
Exact Mass279.22
IUPAC NameN-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCOCCOCCCCF
InChIInChI=1S/C14H30FNO3/c1-14(2)13-16-6-8-18-10-12-19-11-9-17-7-4-3-5-15/h14,16H,3-13H2,1-2H3
InChIKeyPAYCCOXZZCYKSE-UHFFFAOYSA-N
XLogP2.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine (CID 142616381) is N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine is CC(C)CNCCOCCOCCOCCCCF.
What is the InChIKey of N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is PAYCCOXZZCYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FNO3/c1-14(2)13-16-6-8-18-10-12-19-11-9-17-7-4-3-5-15/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.03, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 142616381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).