1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine

C18H27FN2 — CID 114460209

IUPAC1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
SMILESCc1cc(N2CC=C(C(C)(C)C)CC2)c(C(C)N)cc1F
InChIInChI=1S/C18H27FN2/c1-12-10-17(15(13(2)20)11-16(12)19)21-8-6-14(7-9-21)18(3,4)5/h6,10-11,13H,7-9,20H2,1-5H3
InChIKeyHKLDJPVKXUMORD-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.34
Rot. Bonds2

About 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine

1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine (PubChem CID 114460209) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
PubChem CID114460209
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
SMILESCc1cc(N2CC=C(C(C)(C)C)CC2)c(C(C)N)cc1F
InChIInChI=1S/C18H27FN2/c1-12-10-17(15(13(2)20)11-16(12)19)21-8-6-14(7-9-21)18(3,4)5/h6,10-11,13H,7-9,20H2,1-5H3
InChIKeyHKLDJPVKXUMORD-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929006
(1R)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929007
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
CID 114460490
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744273
1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine
CID 114460203
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
CID 114678954
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114490086
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 114460749
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236
[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
CID 102814339

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine?
The IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine (CID 114460209) is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine is Cc1cc(N2CC=C(C(C)(C)C)CC2)c(C(C)N)cc1F.
What is the InChIKey of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine?
The InChIKey is HKLDJPVKXUMORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-12-10-17(15(13(2)20)11-16(12)19)21-8-6-14(7-9-21)18(3,4)5/h6,10-11,13H,7-9,20H2,1-5H3.
What are the key properties of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine?
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine is sourced from PubChem (CID 114460209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).