N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine

C14H26F3NO — CID 105190171

IUPACN-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCNC(CCCOC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-3-18-13(9-6-10-19-2)11-7-4-5-8-12(11)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyVXPXSKWZPRHFBL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds7

About N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine

N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine (PubChem CID 105190171) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
PubChem CID105190171
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCNC(CCCOC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-3-18-13(9-6-10-19-2)11-7-4-5-8-12(11)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyVXPXSKWZPRHFBL-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine (CID 105190171) is N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine is CCNC(CCCOC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
The InChIKey is VXPXSKWZPRHFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-18-13(9-6-10-19-2)11-7-4-5-8-12(11)14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine is sourced from PubChem (CID 105190171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).