4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine

C14H20F2N2 — CID 62314218

IUPAC4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2/c1-9(14-12(15)3-2-4-13(14)16)18-11-7-5-10(17)6-8-11/h2-4,9-11,18H,5-8,17H2,1H3
InChIKeyVKEXRPVLRHATNN-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.89
Rot. Bonds3

About 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine

4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 62314218) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID62314218
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2/c1-9(14-12(15)3-2-4-13(14)16)18-11-7-5-10(17)6-8-11/h2-4,9-11,18H,5-8,17H2,1H3
InChIKeyVKEXRPVLRHATNN-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine (CID 62314218) is 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine is CC(NC1CCC(N)CC1)c1c(F)cccc1F.
What is the InChIKey of 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is VKEXRPVLRHATNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9(14-12(15)3-2-4-13(14)16)18-11-7-5-10(17)6-8-11/h2-4,9-11,18H,5-8,17H2,1H3.
What are the key properties of 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine?
4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 254.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62314218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).