5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine

C13H19ClFNO — CID 62451735

IUPAC5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFNO/c1-2-16-8-4-3-5-9-17-13-7-6-11(15)10-12(13)14/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyBKKICJGKFJJCPM-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.64
Rot. Bonds8

About 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine

5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine (PubChem CID 62451735) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
PubChem CID62451735
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFNO/c1-2-16-8-4-3-5-9-17-13-7-6-11(15)10-12(13)14/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyBKKICJGKFJJCPM-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.64
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

5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
CID 62451912
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
4-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 55078163
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
CID 55161142
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 55093296
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine (CID 62451735) is 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine is CCNCCCCCOc1ccc(F)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine?
The InChIKey is BKKICJGKFJJCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-2-16-8-4-3-5-9-17-13-7-6-11(15)10-12(13)14/h6-7,10,16H,2-5,8-9H2,1H3.
What are the key properties of 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine?
5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine has a molecular weight of 259.75 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 62451735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).