2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine

C16H29F2NO — CID 70837107

IUPAC2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CC1)CNCCOC2CC(CCC2F)F
InChIInChI=1S/C16H29F2NO/c1-12-2-4-13(5-3-12)11-19-8-9-20-16-10-14(17)6-7-15(16)18/h12-16,19H,2-11H2,1H3
InChIKeyRERVEOIAGSEGFS-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.00
Rot. Bonds6

About 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine

2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 70837107) has the molecular formula C16H29F2NO and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID70837107
Molecular FormulaC16H29F2NO
Molecular Weight289.40 g/mol
Exact Mass289.22
IUPAC Name2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CC1)CNCCOC2CC(CCC2F)F
InChIInChI=1S/C16H29F2NO/c1-12-2-4-13(5-3-12)11-19-8-9-20-16-10-14(17)6-7-15(16)18/h12-16,19H,2-11H2,1H3
InChIKeyRERVEOIAGSEGFS-UHFFFAOYSA-N
XLogP4.00
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity269

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43788025
N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43788073
2-methoxy-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43791411
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 55036776
N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 60977329
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110585
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110586
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
2-methyl-N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110921

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 70837107) is 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CC1)CNCCOC2CC(CCC2F)F.
What is the InChIKey of 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is RERVEOIAGSEGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO/c1-12-2-4-13(5-3-12)11-19-8-9-20-16-10-14(17)6-7-15(16)18/h12-16,19H,2-11H2,1H3.
What are the key properties of 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine?
2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 289.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorocyclohexyl)oxy-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 70837107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).