1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine

C13H19FN2 — CID 104737792

IUPAC1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2ccncc2F)C1C
InChIInChI=1S/C13H19FN2/c1-9-4-3-6-13(15,10(9)2)11-5-7-16-8-12(11)14/h5,7-10H,3-4,6,15H2,1-2H3
InChIKeySKUUPLCXPQYTGJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.83
Rot. Bonds1

About 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine

1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 104737792) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID104737792
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2ccncc2F)C1C
InChIInChI=1S/C13H19FN2/c1-9-4-3-6-13(15,10(9)2)11-5-7-16-8-12(11)14/h5,7-10H,3-4,6,15H2,1-2H3
InChIKeySKUUPLCXPQYTGJ-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
CID 64774969
1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine
CID 82820099
6-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexan-6-ol
CID 79331450
1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol
CID 165491618
1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
CID 104737601
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
CID 104737480
4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
CID 104737699
1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-amine
CID 79596154
4-(3-fluoro-4-pyridinyl)oxepan-4-amine
CID 104737796
2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
CID 104659071
1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine
CID 104514811

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine (CID 104737792) is 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine is CC1CCCC(N)(c2ccncc2F)C1C.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is SKUUPLCXPQYTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-4-3-6-13(15,10(9)2)11-5-7-16-8-12(11)14/h5,7-10H,3-4,6,15H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine?
1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104737792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).