1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine

C17H25F2N — CID 81029742

IUPAC1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H25F2N/c1-3-4-12-5-6-14(11-20-2)15(9-12)13-7-8-16(18)17(19)10-13/h7-8,10,12,14-15,20H,3-6,9,11H2,1-2H3
InChIKeyXZHRUKGBEDMPDM-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.48
Rot. Bonds5

About 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine

1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 81029742) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID81029742
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H25F2N/c1-3-4-12-5-6-14(11-20-2)15(9-12)13-7-8-16(18)17(19)10-13/h7-8,10,12,14-15,20H,3-6,9,11H2,1-2H3
InChIKeyXZHRUKGBEDMPDM-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine (CID 81029742) is 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)C(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is XZHRUKGBEDMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-4-12-5-6-14(11-20-2)15(9-12)13-7-8-16(18)17(19)10-13/h7-8,10,12,14-15,20H,3-6,9,11H2,1-2H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine?
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 281.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81029742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).