5-(3-fluorophenoxy)-N-propylpentan-1-amine

C14H22FNO — CID 62459048

IUPAC5-(3-fluorophenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-2-9-16-10-4-3-5-11-17-14-8-6-7-13(15)12-14/h6-8,12,16H,2-5,9-11H2,1H3
InChIKeyBTYAKQUPEFCEHD-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.37
Rot. Bonds9

About 5-(3-fluorophenoxy)-N-propylpentan-1-amine

5-(3-fluorophenoxy)-N-propylpentan-1-amine (PubChem CID 62459048) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-N-propylpentan-1-amine
PubChem CID62459048
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name5-(3-fluorophenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-2-9-16-10-4-3-5-11-17-14-8-6-7-13(15)12-14/h6-8,12,16H,2-5,9-11H2,1H3
InChIKeyBTYAKQUPEFCEHD-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.37
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-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
CID 62486291
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
CID 62451912
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(3-fluorophenoxy)-N-propylpentan-1-amine (CID 62459048) is 5-(3-fluorophenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(3-fluorophenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(3-fluorophenoxy)-N-propylpentan-1-amine is CCCNCCCCCOc1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenoxy)-N-propylpentan-1-amine?
The InChIKey is BTYAKQUPEFCEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-2-9-16-10-4-3-5-11-17-14-8-6-7-13(15)12-14/h6-8,12,16H,2-5,9-11H2,1H3.
What are the key properties of 5-(3-fluorophenoxy)-N-propylpentan-1-amine?
5-(3-fluorophenoxy)-N-propylpentan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62459048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).