N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine

C16H22F3NO — CID 81417296

IUPACN-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(OCC(F)(F)F)cc2)C1(C)C
InChIInChI=1S/C16H22F3NO/c1-4-20-14-9-13(15(14,2)3)11-5-7-12(8-6-11)21-10-16(17,18)19/h5-8,13-14,20H,4,9-10H2,1-3H3
InChIKeyCKUQOLQBMZEOJB-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.12
Rot. Bonds5

About N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine

N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine (PubChem CID 81417296) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine
PubChem CID81417296
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(OCC(F)(F)F)cc2)C1(C)C
InChIInChI=1S/C16H22F3NO/c1-4-20-14-9-13(15(14,2)3)11-5-7-12(8-6-11)21-10-16(17,18)19/h5-8,13-14,20H,4,9-10H2,1-3H3
InChIKeyCKUQOLQBMZEOJB-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
CID 81415968
2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
CID 81415122
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686729
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine
CID 86778646
3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418024
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418130
cis-(1R,2S)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131870
CID 19593763
CID 19593763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine (CID 81417296) is N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine is CCNC1CC(c2ccc(OCC(F)(F)F)cc2)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is CKUQOLQBMZEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-4-20-14-9-13(15(14,2)3)11-5-7-12(8-6-11)21-10-16(17,18)19/h5-8,13-14,20H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine?
N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 81417296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).