ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline

C11H19FNP — CID 143503842

IUPACethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
SMILESCC.CCN(CP)c1ccc(F)cc1
InChIInChI=1S/C9H13FNP.C2H6/c1-2-11(7-12)9-5-3-8(10)4-6-9;1-2/h3-6H,2,7,12H2,1H3;1-2H3
InChIKeyPIGDGTZDYKUUBR-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.51
Rot. Bonds3

About ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline

ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline (PubChem CID 143503842) has the molecular formula C11H19FNP and a molecular weight of 215.25 g/mol. Its IUPAC name is ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline.

Molecular Properties

Compound Nameethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
PubChem CID143503842
Molecular FormulaC11H19FNP
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
SMILESCC.CCN(CP)c1ccc(F)cc1
InChIInChI=1S/C9H13FNP.C2H6/c1-2-11(7-12)9-5-3-8(10)4-6-9;1-2/h3-6H,2,7,12H2,1H3;1-2H3
InChIKeyPIGDGTZDYKUUBR-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaniline
CID 949
N-Ethylaniline
CID 7670
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
Trimethylphenylammonium iodide
CID 94135
N-Butylaniline
CID 14310
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
Phenyltrimethylammonium chloride
CID 67309
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
3-(Ethylphenylamino)propanenitrile
CID 8995

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline?
The IUPAC name of ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline (CID 143503842) is ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline.
What is the SMILES notation for ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline?
The canonical SMILES for ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline is CC.CCN(CP)c1ccc(F)cc1.
What is the InChIKey of ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline?
The InChIKey is PIGDGTZDYKUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FNP.C2H6/c1-2-11(7-12)9-5-3-8(10)4-6-9;1-2/h3-6H,2,7,12H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline?
ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline has a molecular weight of 215.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline is sourced from PubChem (CID 143503842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).