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

C14H21ClFNO — CID 62451912

IUPAC5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFNO/c1-2-8-17-9-4-3-5-10-18-14-7-6-12(16)11-13(14)15/h6-7,11,17H,2-5,8-10H2,1H3
InChIKeyBZOPPLJIBJXMSB-UHFFFAOYSA-N
MW273.78 g/mol
LogP4.03
Rot. Bonds9

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

5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine (PubChem CID 62451912) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
PubChem CID62451912
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFNO/c1-2-8-17-9-4-3-5-10-18-14-7-6-12(16)11-13(14)15/h6-7,11,17H,2-5,8-10H2,1H3
InChIKeyBZOPPLJIBJXMSB-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 54.03
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-ethylpentan-1-amine
CID 62451735
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
1-(2-chloro-4-fluorophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335048
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 55093296

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine (CID 62451912) is 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine is CCCNCCCCCOc1ccc(F)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine?
The InChIKey is BZOPPLJIBJXMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-2-8-17-9-4-3-5-10-18-14-7-6-12(16)11-13(14)15/h6-7,11,17H,2-5,8-10H2,1H3.
What are the key properties of 5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine?
5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 4.03, 9 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-propylpentan-1-amine is sourced from PubChem (CID 62451912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).