N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

C18H27F2N — CID 105411527

IUPACN-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-3-13-5-6-15(12-21-4-2)16(7-13)8-14-9-17(19)11-18(20)10-14/h9-11,13,15-16,21H,3-8,12H2,1-2H3
InChIKeyFCGKXRMVABUUHU-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.56
Rot. Bonds6

About N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 105411527) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID105411527
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-3-13-5-6-15(12-21-4-2)16(7-13)8-14-9-17(19)11-18(20)10-14/h9-11,13,15-16,21H,3-8,12H2,1-2H3
InChIKeyFCGKXRMVABUUHU-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine 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 N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (CID 105411527) is N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is FCGKXRMVABUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-3-13-5-6-15(12-21-4-2)16(7-13)8-14-9-17(19)11-18(20)10-14/h9-11,13,15-16,21H,3-8,12H2,1-2H3.
What are the key properties of N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105411527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).