N-[2-(2-fluorophenoxy)ethyl]propan-1-amine

C11H16FNO — CID 28879092

IUPACN-[2-(2-fluorophenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-2-7-13-8-9-14-11-6-4-3-5-10(11)12/h3-6,13H,2,7-9H2,1H3
InChIKeyVGMUIUPHMZDJBN-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]propan-1-amine

N-[2-(2-fluorophenoxy)ethyl]propan-1-amine (PubChem CID 28879092) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]propan-1-amine
PubChem CID28879092
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-2-7-13-8-9-14-11-6-4-3-5-10(11)12/h3-6,13H,2,7-9H2,1H3
InChIKeyVGMUIUPHMZDJBN-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39362846
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
3-(2-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 62453534
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]propan-1-amine (CID 28879092) is N-[2-(2-fluorophenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]propan-1-amine is CCCNCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
The InChIKey is VGMUIUPHMZDJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-7-13-8-9-14-11-6-4-3-5-10(11)12/h3-6,13H,2,7-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 28879092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).