2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine

C14H23FN2 — CID 175611567

IUPAC2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine
SMILESCC(C1CCC(C)(F)CC1)C1CC=C(N)C=N1
InChIInChI=1S/C14H23FN2/c1-10(13-4-3-12(16)9-17-13)11-5-7-14(2,15)8-6-11/h3,9-11,13H,4-8,16H2,1-2H3
InChIKeyFDGUETUWBMHGLP-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.23
Rot. Bonds2

About 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine

2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine (PubChem CID 175611567) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine.

Molecular Properties

Compound Name2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine
PubChem CID175611567
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine
SMILESCC(C1CCC(C)(F)CC1)C1CC=C(N)C=N1
InChIInChI=1S/C14H23FN2/c1-10(13-4-3-12(16)9-17-13)11-5-7-14(2,15)8-6-11/h3,9-11,13H,4-8,16H2,1-2H3
InChIKeyFDGUETUWBMHGLP-UHFFFAOYSA-N
XLogP3.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine?
The IUPAC name of 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine (CID 175611567) is 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine.
What is the SMILES notation for 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine?
The canonical SMILES for 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine is CC(C1CCC(C)(F)CC1)C1CC=C(N)C=N1.
What is the InChIKey of 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine?
The InChIKey is FDGUETUWBMHGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(13-4-3-12(16)9-17-13)11-5-7-14(2,15)8-6-11/h3,9-11,13H,4-8,16H2,1-2H3.
What are the key properties of 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine?
2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine has a molecular weight of 238.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-4-methylcyclohexyl)ethyl]-2,3-dihydropyridin-5-amine is sourced from PubChem (CID 175611567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).