2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine

C12H17FN2 — CID 104739397

IUPAC2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccncc2F)C1
InChIInChI=1S/C12H17FN2/c1-8-2-3-12(14)10(6-8)9-4-5-15-7-11(9)13/h4-5,7-8,10,12H,2-3,6,14H2,1H3
InChIKeyKSZVNGYTLYAKTO-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.45
Rot. Bonds1

About 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine

2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine (PubChem CID 104739397) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine
PubChem CID104739397
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccncc2F)C1
InChIInChI=1S/C12H17FN2/c1-8-2-3-12(14)10(6-8)9-4-5-15-7-11(9)13/h4-5,7-8,10,12H,2-3,6,14H2,1H3
InChIKeyKSZVNGYTLYAKTO-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-8-yl-4-methylcyclohexan-1-amine
CID 103132421
4-methyl-2-pyridin-3-ylcyclohexan-1-amine
CID 81013157
[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine
CID 104739408
2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 81013313
3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine
CID 104739065
1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 104739476
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 113447373
N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine
CID 104739444
4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102756356
2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
CID 106882846
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 104739441
N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine
CID 102709252

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine (CID 104739397) is 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(c2ccncc2F)C1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine?
The InChIKey is KSZVNGYTLYAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8-2-3-12(14)10(6-8)9-4-5-15-7-11(9)13/h4-5,7-8,10,12H,2-3,6,14H2,1H3.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine?
2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 104739397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).