1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol

C13H19ClFNO2 — CID 65186284

IUPAC1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
SMILESCCOCCC(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFNO2/c1-2-18-7-6-12(17)9(8-16)13-10(14)4-3-5-11(13)15/h3-5,9,12,17H,2,6-8,16H2,1H3
InChIKeyUZSWPRXOUUVIBG-UHFFFAOYSA-N
MW275.75 g/mol
LogP2.31
Rot. Bonds7

About 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol

1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol (PubChem CID 65186284) has the molecular formula C13H19ClFNO2 and a molecular weight of 275.75 g/mol. Its IUPAC name is 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
PubChem CID65186284
Molecular FormulaC13H19ClFNO2
Molecular Weight275.75 g/mol
Exact Mass275.11
IUPAC Name1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
SMILESCCOCCC(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFNO2/c1-2-18-7-6-12(17)9(8-16)13-10(14)4-3-5-11(13)15/h3-5,9,12,17H,2,6-8,16H2,1H3
InChIKeyUZSWPRXOUUVIBG-UHFFFAOYSA-N
XLogP2.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 52.31
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

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CID 65186484
1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
CID 114754167
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol?
The IUPAC name of 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol (CID 65186284) is 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol.
What is the SMILES notation for 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol?
The canonical SMILES for 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol is CCOCCC(O)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol?
The InChIKey is UZSWPRXOUUVIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO2/c1-2-18-7-6-12(17)9(8-16)13-10(14)4-3-5-11(13)15/h3-5,9,12,17H,2,6-8,16H2,1H3.
What are the key properties of 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol?
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol has a molecular weight of 275.75 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol is sourced from PubChem (CID 65186284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).