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1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine

C13H17F2N — CID 63989623

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2N/c1-9-4-3-7-13(16,8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9H,3-4,7-8,16H2,1H3
InChIKeyHKCINAHMXBFJAK-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.33
Rot. Bonds1

About 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine

1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine (PubChem CID 63989623) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
PubChem CID63989623
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2N/c1-9-4-3-7-13(16,8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9H,3-4,7-8,16H2,1H3
InChIKeyHKCINAHMXBFJAK-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine (CID 63989623) is 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine?
The InChIKey is HKCINAHMXBFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-4-3-7-13(16,8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9H,3-4,7-8,16H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine?
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63989623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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