N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

C18H27F2N — CID 81033331

IUPACN-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1c1c(F)cccc1F
InChIInChI=1S/C18H27F2N/c1-12(2)10-21-11-14-8-7-13(3)9-15(14)18-16(19)5-4-6-17(18)20/h4-6,12-15,21H,7-11H2,1-3H3
InChIKeyUVUCJRWODWOOJV-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.73
Rot. Bonds5

About N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81033331) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81033331
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1c1c(F)cccc1F
InChIInChI=1S/C18H27F2N/c1-12(2)10-21-11-14-8-7-13(3)9-15(14)18-16(19)5-4-6-17(18)20/h4-6,12-15,21H,7-11H2,1-3H3
InChIKeyUVUCJRWODWOOJV-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027831
N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034007
N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 114735682
2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
CID 81031315
N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62704418
N-[[2-(2,6-difluoro-3-methylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 82805177
2-methyl-N-[(2-naphthalen-1-ylcyclobutyl)methyl]propan-1-amine
CID 81022663
N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028770
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (CID 81033331) is N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(C)CC1c1c(F)cccc1F.
What is the InChIKey of N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UVUCJRWODWOOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-12(2)10-21-11-14-8-7-13(3)9-15(14)18-16(19)5-4-6-17(18)20/h4-6,12-15,21H,7-11H2,1-3H3.
What are the key properties of N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81033331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).