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

C13H28FNO3 — CID 167521096

IUPACN-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCCCF
InChIInChI=1S/C13H28FNO3/c1-2-6-15-7-9-17-11-13-18-12-10-16-8-4-3-5-14/h15H,2-13H2,1H3
InChIKeyLAUCJMSOIHQBTN-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.79
Rot. Bonds15

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

N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 167521096) has the molecular formula C13H28FNO3 and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID167521096
Molecular FormulaC13H28FNO3
Molecular Weight265.37 g/mol
Exact Mass265.21
IUPAC NameN-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCCCF
InChIInChI=1S/C13H28FNO3/c1-2-6-15-7-9-17-11-13-18-12-10-16-8-4-3-5-14/h15H,2-13H2,1H3
InChIKeyLAUCJMSOIHQBTN-UHFFFAOYSA-N
XLogP1.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.79
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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Related Compounds

1,4,7-Trioxa-10-azacyclododecane
CID 545817
Bis(2-(2-methoxyethoxy)ethyl)amine
CID 79808
2-(2-(2-Methoxyethoxy)ethoxy)-N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)ethanamine
CID 3016250
2,5,8-Trioxa-11-azadodecane
CID 12621265
Ethyl[2-(2-methoxyethoxy)ethyl]amine
CID 61685148
Fluorocryptand
CID 129777004
11,15-Dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 12717859
14,18-Dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 12717860
{2-[2-(2-Fluoroethoxy)ethoxy]ethyl}(methyl)amine
CID 89034998
2-butoxy-N-(fluoromethyl)ethanamine
CID 140226318
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
CID 142616241
N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 142616381

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine (CID 167521096) is N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine is CCCNCCOCCOCCOCCCCF.
What is the InChIKey of N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is LAUCJMSOIHQBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO3/c1-2-6-15-7-9-17-11-13-18-12-10-16-8-4-3-5-14/h15H,2-13H2,1H3.
What are the key properties of N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 1.79, 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]propan-1-amine is sourced from PubChem (CID 167521096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).