N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine

C10H18F3NO2 — CID 82714410

IUPACN-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCONC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2/c1-15-6-7-16-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyNBXPTGUFNBHAQR-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.28
Rot. Bonds5

About N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine

N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 82714410) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID82714410
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCONC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2/c1-15-6-7-16-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyNBXPTGUFNBHAQR-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine (CID 82714410) is N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine is COCCONC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NBXPTGUFNBHAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-15-6-7-16-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 82714410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).