2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol

C15H21F2NO2 — CID 64809326

IUPAC2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol
SMILESCC(CO)(CCCOc1cccc(F)c1F)NC1CC1
InChIInChI=1S/C15H21F2NO2/c1-15(10-19,18-11-6-7-11)8-3-9-20-13-5-2-4-12(16)14(13)17/h2,4-5,11,18-19H,3,6-10H2,1H3
InChIKeyYUILVMLOYGZRSJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.63
Rot. Bonds8

About 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol

2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol (PubChem CID 64809326) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol
PubChem CID64809326
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol
SMILESCC(CO)(CCCOc1cccc(F)c1F)NC1CC1
InChIInChI=1S/C15H21F2NO2/c1-15(10-19,18-11-6-7-11)8-3-9-20-13-5-2-4-12(16)14(13)17/h2,4-5,11,18-19H,3,6-10H2,1H3
InChIKeyYUILVMLOYGZRSJ-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64809744
2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
CID 64803671
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
2-(cyclopropylamino)-6-(2-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64792146
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
5-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63036442
5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
CID 64805072
ethyl 5-(2,3-difluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 63038197
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
2-(cyclopropylamino)-5-(3,5-dimethylcyclohexyl)oxy-2-methylpentan-1-ol
CID 64808158

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol (CID 64809326) is 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol is CC(CO)(CCCOc1cccc(F)c1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol?
The InChIKey is YUILVMLOYGZRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-15(10-19,18-11-6-7-11)8-3-9-20-13-5-2-4-12(16)14(13)17/h2,4-5,11,18-19H,3,6-10H2,1H3.
What are the key properties of 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol?
2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol is sourced from PubChem (CID 64809326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).