3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine

C15H19F4NO — CID 103290276

IUPAC3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOc2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C15H19F4NO/c1-9-3-2-4-10(7-9)20-5-6-21-15-13(18)11(16)8-12(17)14(15)19/h8-10,20H,2-7H2,1H3
InChIKeyRYFIPBRIHZLDNG-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.79
Rot. Bonds5

About 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine (PubChem CID 103290276) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine
PubChem CID103290276
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOc2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C15H19F4NO/c1-9-3-2-4-10(7-9)20-5-6-21-15-13(18)11(16)8-12(17)14(15)19/h8-10,20H,2-7H2,1H3
InChIKeyRYFIPBRIHZLDNG-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
CID 63505530
N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 63517342
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 79407747
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
CID 65130563
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
CID 62583661
4-[2-[(3-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103237686

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine (CID 103290276) is 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine is CC1CCCC(NCCOc2c(F)c(F)cc(F)c2F)C1.
What is the InChIKey of 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine?
The InChIKey is RYFIPBRIHZLDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-9-3-2-4-10(7-9)20-5-6-21-15-13(18)11(16)8-12(17)14(15)19/h8-10,20H,2-7H2,1H3.
What are the key properties of 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine has a molecular weight of 305.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103290276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).