N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine

C16H19FN2 — CID 114347672

IUPACN-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1cccnc1
InChIInChI=1S/C16H19FN2/c1-3-19-16(14-5-4-8-18-11-14)10-13-6-7-15(17)9-12(13)2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyBWEXWARUFXIBOR-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.42
Rot. Bonds5

About N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine

N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine (PubChem CID 114347672) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
PubChem CID114347672
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1cccnc1
InChIInChI=1S/C16H19FN2/c1-3-19-16(14-5-4-8-18-11-14)10-13-6-7-15(17)9-12(13)2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyBWEXWARUFXIBOR-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374281
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 105051078
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314
N-[2-(4-fluoro-2-methylphenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105051020
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62600046
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine (CID 114347672) is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine is CCNC(Cc1ccc(F)cc1C)c1cccnc1.
What is the InChIKey of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine?
The InChIKey is BWEXWARUFXIBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-19-16(14-5-4-8-18-11-14)10-13-6-7-15(17)9-12(13)2/h4-9,11,16,19H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine?
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine has a molecular weight of 258.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 114347672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).