5-(2,5-difluorophenoxy)-N-methylpentan-1-amine

C12H17F2NO — CID 63273148

IUPAC5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-15-7-3-2-4-8-16-12-9-10(13)5-6-11(12)14/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyQTBGZSFPDJQNLB-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.73
Rot. Bonds7

About 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine

5-(2,5-difluorophenoxy)-N-methylpentan-1-amine (PubChem CID 63273148) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
PubChem CID63273148
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-15-7-3-2-4-8-16-12-9-10(13)5-6-11(12)14/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyQTBGZSFPDJQNLB-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.73
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-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
1,4-difluoro-2-hexoxybenzene
CID 23437312
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
3-(2,5-difluorophenoxy)propanal
CID 63269959
2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
CID 146675459
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
CID 103290253

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine (CID 63273148) is 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine is CNCCCCCOc1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine?
The InChIKey is QTBGZSFPDJQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-15-7-3-2-4-8-16-12-9-10(13)5-6-11(12)14/h5-6,9,15H,2-4,7-8H2,1H3.
What are the key properties of 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine?
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 63273148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).