N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C12H22F3NO2 — CID 64759706

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCOCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-17-8-9-18-7-6-16-11-5-3-2-4-10(11)12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyVQDVMDRIEWGGEE-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759706) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759706
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCOCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-17-8-9-18-7-6-16-11-5-3-2-4-10(11)12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyVQDVMDRIEWGGEE-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81328492
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylcycloheptan-1-amine
CID 104562465
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
1-methoxy-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64758911
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate
CID 115607086
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 64759706) is N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is COCCOCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VQDVMDRIEWGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-17-8-9-18-7-6-16-11-5-3-2-4-10(11)12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).