2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol

C15H25ClFN2OP — CID 142098926

IUPAC2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol
SMILESCCN(CP)CCCC(C)NCc1cc(Cl)c(O)cc1F
InChIInChI=1S/C15H25ClFN2OP/c1-3-19(10-21)6-4-5-11(2)18-9-12-7-13(16)15(20)8-14(12)17/h7-8,11,18,20H,3-6,9-10,21H2,1-2H3
InChIKeyXSQYGWQDBKWKJW-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.60
Rot. Bonds9

About 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol

2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol (PubChem CID 142098926) has the molecular formula C15H25ClFN2OP and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol.

Molecular Properties

Compound Name2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol
PubChem CID142098926
Molecular FormulaC15H25ClFN2OP
Molecular Weight334.80 g/mol
Exact Mass334.14
IUPAC Name2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol
SMILESCCN(CP)CCCC(C)NCc1cc(Cl)c(O)cc1F
InChIInChI=1S/C15H25ClFN2OP/c1-3-19(10-21)6-4-5-11(2)18-9-12-7-13(16)15(20)8-14(12)17/h7-8,11,18,20H,3-6,9-10,21H2,1-2H3
InChIKeyXSQYGWQDBKWKJW-UHFFFAOYSA-N
XLogP3.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol?
The IUPAC name of 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol (CID 142098926) is 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol.
What is the SMILES notation for 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol?
The canonical SMILES for 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol is CCN(CP)CCCC(C)NCc1cc(Cl)c(O)cc1F.
What is the InChIKey of 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol?
The InChIKey is XSQYGWQDBKWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClFN2OP/c1-3-19(10-21)6-4-5-11(2)18-9-12-7-13(16)15(20)8-14(12)17/h7-8,11,18,20H,3-6,9-10,21H2,1-2H3.
What are the key properties of 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol?
2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol has a molecular weight of 334.80 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol is sourced from PubChem (CID 142098926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).