2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

C17H25F2N — CID 64765742

IUPAC2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cccc(F)c1F
InChIInChI=1S/C17H25F2N/c1-11-8-9-12(15(10-11)20-4)17(2,3)13-6-5-7-14(18)16(13)19/h5-7,11-12,15,20H,8-10H2,1-4H3
InChIKeyTYWQTKMOSLLWQB-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.27
Rot. Bonds3

About 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (PubChem CID 64765742) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
PubChem CID64765742
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cccc(F)c1F
InChIInChI=1S/C17H25F2N/c1-11-8-9-12(15(10-11)20-4)17(2,3)13-6-5-7-14(18)16(13)19/h5-7,11-12,15,20H,8-10H2,1-4H3
InChIKeyTYWQTKMOSLLWQB-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (CID 64765742) is 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is CNC1CC(C)CCC1C(C)(C)c1cccc(F)c1F.
What is the InChIKey of 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The InChIKey is TYWQTKMOSLLWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-11-8-9-12(15(10-11)20-4)17(2,3)13-6-5-7-14(18)16(13)19/h5-7,11-12,15,20H,8-10H2,1-4H3.
What are the key properties of 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-difluorophenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64765742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).