2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol

C16H24FNO2 — CID 106810519

IUPAC2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
SMILESCCC(CO)(CCCOc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C16H24FNO2/c1-2-16(12-19,18-14-6-7-14)10-3-11-20-15-8-4-13(17)5-9-15/h4-5,8-9,14,18-19H,2-3,6-7,10-12H2,1H3
InChIKeyBCPCDGDDDVYEGF-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.88
Rot. Bonds9

About 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol

2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol (PubChem CID 106810519) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
PubChem CID106810519
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
SMILESCCC(CO)(CCCOc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C16H24FNO2/c1-2-16(12-19,18-14-6-7-14)10-3-11-20-15-8-4-13(17)5-9-15/h4-5,8-9,14,18-19H,2-3,6-7,10-12H2,1H3
InChIKeyBCPCDGDDDVYEGF-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.88
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

2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810677
2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
CID 106810706
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
CID 107865381
2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
CID 106810072

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol (CID 106810519) is 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol is CCC(CO)(CCCOc1ccc(F)cc1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol?
The InChIKey is BCPCDGDDDVYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-16(12-19,18-14-6-7-14)10-3-11-20-15-8-4-13(17)5-9-15/h4-5,8-9,14,18-19H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol?
2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol is sourced from PubChem (CID 106810519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).