N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine

C16H20FN3 — CID 105388874

IUPACN-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
SMILESCCNCc1ccnc(N(CC)c2ccccc2)c1F
InChIInChI=1S/C16H20FN3/c1-3-18-12-13-10-11-19-16(15(13)17)20(4-2)14-8-6-5-7-9-14/h5-11,18H,3-4,12H2,1-2H3
InChIKeyFYEOSMHLDCBWLF-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine

N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine (PubChem CID 105388874) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
PubChem CID105388874
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
SMILESCCNCc1ccnc(N(CC)c2ccccc2)c1F
InChIInChI=1S/C16H20FN3/c1-3-18-12-13-10-11-19-16(15(13)17)20(4-2)14-8-6-5-7-9-14/h5-11,18H,3-4,12H2,1-2H3
InChIKeyFYEOSMHLDCBWLF-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine (CID 105388874) is N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine is CCNCc1ccnc(N(CC)c2ccccc2)c1F.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine?
The InChIKey is FYEOSMHLDCBWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-18-12-13-10-11-19-16(15(13)17)20(4-2)14-8-6-5-7-9-14/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine?
N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine is sourced from PubChem (CID 105388874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).