2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

C17H25F2N — CID 114934448

IUPAC2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2c(F)cccc2F)C(N)C1
InChIInChI=1S/C17H25F2N/c1-11-7-8-13(16(20)9-11)17(2,3)10-12-14(18)5-4-6-15(12)19/h4-6,11,13,16H,7-10,20H2,1-3H3
InChIKeyTXKCXJSTPOCCST-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.30
Rot. Bonds3

About 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 114934448) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID114934448
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2c(F)cccc2F)C(N)C1
InChIInChI=1S/C17H25F2N/c1-11-7-8-13(16(20)9-11)17(2,3)10-12-14(18)5-4-6-15(12)19/h4-6,11,13,16H,7-10,20H2,1-3H3
InChIKeyTXKCXJSTPOCCST-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (CID 114934448) is 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is CC1CCC(C(C)(C)Cc2c(F)cccc2F)C(N)C1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is TXKCXJSTPOCCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-11-7-8-13(16(20)9-11)17(2,3)10-12-14(18)5-4-6-15(12)19/h4-6,11,13,16H,7-10,20H2,1-3H3.
What are the key properties of 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 114934448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).