N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine

C17H22FN3 — CID 80637668

IUPACN-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine
SMILESCCNCc1cnc(N(CC)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H22FN3/c1-4-19-11-14-9-13(3)17(20-12-14)21(5-2)16-8-6-7-15(18)10-16/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeyGKEPCAITUQCPIQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.80
Rot. Bonds6

About N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine

N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine (PubChem CID 80637668) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine
PubChem CID80637668
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine
SMILESCCNCc1cnc(N(CC)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H22FN3/c1-4-19-11-14-9-13(3)17(20-12-14)21(5-2)16-8-6-7-15(18)10-16/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeyGKEPCAITUQCPIQ-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine
CID 80635720
[6-(3-fluoro-N-methylanilino)-5-methyl-3-pyridinyl]methanol
CID 80628282
N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine
CID 62282854
3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
CID 79534994
N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
CID 62122777
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774
5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N,3-dimethylpyridin-2-amine
CID 80638739
5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
CID 83186234
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270
[2-(N-ethyl-3-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383018
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine?
The IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine (CID 80637668) is N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine.
What is the SMILES notation for N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine?
The canonical SMILES for N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine is CCNCc1cnc(N(CC)c2cccc(F)c2)c(C)c1.
What is the InChIKey of N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine?
The InChIKey is GKEPCAITUQCPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-4-19-11-14-9-13(3)17(20-12-14)21(5-2)16-8-6-7-15(18)10-16/h6-10,12,19H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine?
N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 80637668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).