5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine

C16H20FN3 — CID 80635720

IUPAC5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine
SMILESCCNCc1cnc(N(C)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H20FN3/c1-4-18-10-13-9-12(2)16(19-11-13)20(3)15-7-5-14(17)6-8-15/h5-9,11,18H,4,10H2,1-3H3
InChIKeyBNXHNRCGDCDKOB-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.41
Rot. Bonds5

About 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine

5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine (PubChem CID 80635720) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine
PubChem CID80635720
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine
SMILESCCNCc1cnc(N(C)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H20FN3/c1-4-18-10-13-9-12(2)16(19-11-13)20(3)15-7-5-14(17)6-8-15/h5-9,11,18H,4,10H2,1-3H3
InChIKeyBNXHNRCGDCDKOB-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine (CID 80635720) is 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine is CCNCc1cnc(N(C)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is BNXHNRCGDCDKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-18-10-13-9-12(2)16(19-11-13)20(3)15-7-5-14(17)6-8-15/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine?
5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80635720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).