N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine

C18H23FN2 — CID 106883837

IUPACN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCNC(CCc1ccncc1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H23FN2/c1-4-21-17(6-5-15-7-9-20-10-8-15)18-14(3)11-13(2)12-16(18)19/h7-12,17,21H,4-6H2,1-3H3
InChIKeyYNGIGEMOLNGISX-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.12
Rot. Bonds6

About N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 106883837) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine
PubChem CID106883837
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCNC(CCc1ccncc1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H23FN2/c1-4-21-17(6-5-15-7-9-20-10-8-15)18-14(3)11-13(2)12-16(18)19/h7-12,17,21H,4-6H2,1-3H3
InChIKeyYNGIGEMOLNGISX-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 106883832
[1-(2-fluoro-4,6-dimethylphenyl)-3-phenylpropyl]hydrazine
CID 106884252
N-ethyl-1-(5-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105173949
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methylphenyl)ethanamine
CID 106881412
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 107130013
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
4-pyridin-4-yl-2-(2,4,6-trimethylphenyl)butanenitrile
CID 82091569
[1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylphenyl)propyl]hydrazine
CID 106884529

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine (CID 106883837) is N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine is CCNC(CCc1ccncc1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is YNGIGEMOLNGISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21-17(6-5-15-7-9-20-10-8-15)18-14(3)11-13(2)12-16(18)19/h7-12,17,21H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine?
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 106883837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).