[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine

C16H23FN2 — CID 102814339

IUPAC[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
SMILESCC(C)(C)C1=CCN(c2cc(F)cc(CN)c2)CC1
InChIInChI=1S/C16H23FN2/c1-16(2,3)13-4-6-19(7-5-13)15-9-12(11-18)8-14(17)10-15/h4,8-10H,5-7,11,18H2,1-3H3
InChIKeyQFVVLHPQSDAQCB-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.47
Rot. Bonds2

About [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine

[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine (PubChem CID 102814339) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
PubChem CID102814339
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
SMILESCC(C)(C)C1=CCN(c2cc(F)cc(CN)c2)CC1
InChIInChI=1S/C16H23FN2/c1-16(2,3)13-4-6-19(7-5-13)15-9-12(11-18)8-14(17)10-15/h4,8-10H,5-7,11,18H2,1-3H3
InChIKeyQFVVLHPQSDAQCB-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.47
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

(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
CID 114459794
1-[4-[3-(aminomethyl)-5-fluorophenyl]piperazin-1-yl]ethanone
CID 102813334
[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
CID 102814167
(1R)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929007
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929006
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 114460209
[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489481
[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 114460479
[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 102813357
[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methylsulfanylphenyl]methanamine
CID 114459791
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine (CID 102814339) is [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine is CC(C)(C)C1=CCN(c2cc(F)cc(CN)c2)CC1.
What is the InChIKey of [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is QFVVLHPQSDAQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-16(2,3)13-4-6-19(7-5-13)15-9-12(11-18)8-14(17)10-15/h4,8-10H,5-7,11,18H2,1-3H3.
What are the key properties of [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine?
[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 262.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 102814339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).