5-chloro-2-[(decylamino)methyl]-4-fluorophenol

C17H27ClFNO — CID 143926674

IUPAC5-chloro-2-[(decylamino)methyl]-4-fluorophenol
SMILESCCCCCCCCCCNCc1cc(F)c(Cl)cc1O
InChIInChI=1S/C17H27ClFNO/c1-2-3-4-5-6-7-8-9-10-20-13-14-11-16(19)15(18)12-17(14)21/h11-12,20-21H,2-10,13H2,1H3
InChIKeyOSFWFDPFJWTISU-UHFFFAOYSA-N
MW315.86 g/mol
LogP5.41
Rot. Bonds11

About 5-chloro-2-[(decylamino)methyl]-4-fluorophenol

5-chloro-2-[(decylamino)methyl]-4-fluorophenol (PubChem CID 143926674) has the molecular formula C17H27ClFNO and a molecular weight of 315.86 g/mol. Its IUPAC name is 5-chloro-2-[(decylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name5-chloro-2-[(decylamino)methyl]-4-fluorophenol
PubChem CID143926674
Molecular FormulaC17H27ClFNO
Molecular Weight315.86 g/mol
Exact Mass315.18
IUPAC Name5-chloro-2-[(decylamino)methyl]-4-fluorophenol
SMILESCCCCCCCCCCNCc1cc(F)c(Cl)cc1O
InChIInChI=1S/C17H27ClFNO/c1-2-3-4-5-6-7-8-9-10-20-13-14-11-16(19)15(18)12-17(14)21/h11-12,20-21H,2-10,13H2,1H3
InChIKeyOSFWFDPFJWTISU-UHFFFAOYSA-N
XLogP5.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.86
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(decylamino)methyl]-4-fluorophenol?
The IUPAC name of 5-chloro-2-[(decylamino)methyl]-4-fluorophenol (CID 143926674) is 5-chloro-2-[(decylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 5-chloro-2-[(decylamino)methyl]-4-fluorophenol?
The canonical SMILES for 5-chloro-2-[(decylamino)methyl]-4-fluorophenol is CCCCCCCCCCNCc1cc(F)c(Cl)cc1O.
What is the InChIKey of 5-chloro-2-[(decylamino)methyl]-4-fluorophenol?
The InChIKey is OSFWFDPFJWTISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFNO/c1-2-3-4-5-6-7-8-9-10-20-13-14-11-16(19)15(18)12-17(14)21/h11-12,20-21H,2-10,13H2,1H3.
What are the key properties of 5-chloro-2-[(decylamino)methyl]-4-fluorophenol?
5-chloro-2-[(decylamino)methyl]-4-fluorophenol has a molecular weight of 315.86 g/mol, XLogP of 5.41, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(decylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 143926674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).