3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine

C16H21F2N — CID 82819865

IUPAC3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine
SMILESCc1ccc(F)c(C2(N)CCCC(C3CC3)C2)c1F
InChIInChI=1S/C16H21F2N/c1-10-4-7-13(17)14(15(10)18)16(19)8-2-3-12(9-16)11-5-6-11/h4,7,11-12H,2-3,5-6,8-9,19H2,1H3
InChIKeyPJIMTOKGAGPWOX-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.03
Rot. Bonds2

About 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine

3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine (PubChem CID 82819865) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine
PubChem CID82819865
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC Name3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine
SMILESCc1ccc(F)c(C2(N)CCCC(C3CC3)C2)c1F
InChIInChI=1S/C16H21F2N/c1-10-4-7-13(17)14(15(10)18)16(19)8-2-3-12(9-16)11-5-6-11/h4,7,11-12H,2-3,5-6,8-9,19H2,1H3
InChIKeyPJIMTOKGAGPWOX-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine (CID 82819865) is 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine is Cc1ccc(F)c(C2(N)CCCC(C3CC3)C2)c1F.
What is the InChIKey of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine?
The InChIKey is PJIMTOKGAGPWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-10-4-7-13(17)14(15(10)18)16(19)8-2-3-12(9-16)11-5-6-11/h4,7,11-12H,2-3,5-6,8-9,19H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine?
3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 82819865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).