5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine

C14H21F2NO2 — CID 82353628

IUPAC5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
SMILESNCCCCCOCCCOc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c15-12-5-6-14(13(16)11-12)19-10-4-9-18-8-3-1-2-7-17/h5-6,11H,1-4,7-10,17H2
InChIKeyPHHFEAHOLFKCOC-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.88
Rot. Bonds10

About 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine

5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine (PubChem CID 82353628) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
PubChem CID82353628
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
SMILESNCCCCCOCCCOc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c15-12-5-6-14(13(16)11-12)19-10-4-9-18-8-3-1-2-7-17/h5-6,11H,1-4,7-10,17H2
InChIKeyPHHFEAHOLFKCOC-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
CID 89282398
CID 89282398
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine
CID 170719137
N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
CID 62571632
2,4-difluoro-1-octadec-9-enoxybenzene
CID 173351130
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine?
The IUPAC name of 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine (CID 82353628) is 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine.
What is the SMILES notation for 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine?
The canonical SMILES for 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine is NCCCCCOCCCOc1ccc(F)cc1F.
What is the InChIKey of 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine?
The InChIKey is PHHFEAHOLFKCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c15-12-5-6-14(13(16)11-12)19-10-4-9-18-8-3-1-2-7-17/h5-6,11H,1-4,7-10,17H2.
What are the key properties of 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine?
5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine is sourced from PubChem (CID 82353628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).