[4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine

C13H24F3NO — CID 65389987

IUPAC[4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2)3-5-12(9-17,6-4-11)7-8-18-10-13(14,15)16/h3-10,17H2,1-2H3
InChIKeyYOBQDCOTPSHQIR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.50
Rot. Bonds5

About [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine

[4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (PubChem CID 65389987) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
PubChem CID65389987
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2)3-5-12(9-17,6-4-11)7-8-18-10-13(14,15)16/h3-10,17H2,1-2H3
InChIKeyYOBQDCOTPSHQIR-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 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 ≤ 53.50
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

2-[1-(Aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate
CID 175375923
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 55106643
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62723303
2-Methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723497
1-[4-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]-N-methylmethanamine
CID 62723823
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724282
[1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 62724691
[4-Tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724702
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724778
[4-Tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 62724900

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (CID 65389987) is [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is CC1(C)CCC(CN)(CCOCC(F)(F)F)CC1.
What is the InChIKey of [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The InChIKey is YOBQDCOTPSHQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2)3-5-12(9-17,6-4-11)7-8-18-10-13(14,15)16/h3-10,17H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
[4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 65389987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).