N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

C13H24F3NO — CID 114941480

IUPACN-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOC(C)(C)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-4-18-12(2,3)9-17-11-8-6-5-7-10(11)13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyBEWLVEUKTYTNMP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds5

About N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 114941480) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID114941480
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOC(C)(C)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-4-18-12(2,3)9-17-11-8-6-5-7-10(11)13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyBEWLVEUKTYTNMP-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
N-[(4,4-difluorocyclohexyl)methyl]oxan-3-amine
CID 128268753
1-[4-[3-ethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-N-methylmethanamine
CID 132101719
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
N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
N-(4-methoxy-4-methylpentan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730622
N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43788073
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 54961752
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961803
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961861

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 114941480) is N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is CCOC(C)(C)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BEWLVEUKTYTNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-18-12(2,3)9-17-11-8-6-5-7-10(11)13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 114941480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).