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

C11H20F3NO — CID 64753627

IUPACN-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-16-8-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyJNLCZSPNJGMWOA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

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

N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753627) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753627
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-16-8-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyJNLCZSPNJGMWOA-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
N-[4-(trifluoromethyl)cyclohexyl]oxan-3-amine
CID 64175790
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
N-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
CID 128257958
N-[(4,4-difluorocyclohexyl)methyl]oxan-3-amine
CID 128268753
(3S)-N-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
CID 128401873
1-[4-[3-ethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-N-methylmethanamine
CID 132101719
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 146310597
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753627) is N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine is CCOCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JNLCZSPNJGMWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-16-8-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).