2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine

C11H17FNOP — CID 155416860

IUPAC2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
SMILESCc1cc(C(C)(F)P)ccc1OCCN
InChIInChI=1S/C11H17FNOP/c1-8-7-9(11(2,12)15)3-4-10(8)14-6-5-13/h3-4,7H,5-6,13,15H2,1-2H3
InChIKeyXNZMHYHFJRMSAA-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.35
Rot. Bonds4

About 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine

2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine (PubChem CID 155416860) has the molecular formula C11H17FNOP and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
PubChem CID155416860
Molecular FormulaC11H17FNOP
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
SMILESCc1cc(C(C)(F)P)ccc1OCCN
InChIInChI=1S/C11H17FNOP/c1-8-7-9(11(2,12)15)3-4-10(8)14-6-5-13/h3-4,7H,5-6,13,15H2,1-2H3
InChIKeyXNZMHYHFJRMSAA-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
CID 163408322
2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
CID 64806676
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753347
5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
CID 65255914
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]piperidin-1-ium
CID 7381548

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine?
The IUPAC name of 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine (CID 155416860) is 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine.
What is the SMILES notation for 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine?
The canonical SMILES for 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine is Cc1cc(C(C)(F)P)ccc1OCCN.
What is the InChIKey of 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine?
The InChIKey is XNZMHYHFJRMSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FNOP/c1-8-7-9(11(2,12)15)3-4-10(8)14-6-5-13/h3-4,7H,5-6,13,15H2,1-2H3.
What are the key properties of 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine?
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine has a molecular weight of 229.23 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine is sourced from PubChem (CID 155416860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).