N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C14H20F3NO — CID 79621726

IUPACN-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCCNCC(C)(C)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-4-18-9-13(2,3)10-19-12-7-5-11(6-8-12)14(15,16)17/h5-8,18H,4,9-10H2,1-3H3
InChIKeyYGNFSDDUYNWDFO-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.72
Rot. Bonds6

About N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 79621726) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID79621726
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCCNCC(C)(C)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-4-18-9-13(2,3)10-19-12-7-5-11(6-8-12)14(15,16)17/h5-8,18H,4,9-10H2,1-3H3
InChIKeyYGNFSDDUYNWDFO-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626547
3-(4-chloro-3-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82727591
1-(3,3,3-trifluoro-2,2-dimethylpropoxy)-4-(trifluoromethyl)benzene
CID 89280701
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008
N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626869
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
CID 167341767
3-(4-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626396
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 79621726) is N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is CCNCC(C)(C)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is YGNFSDDUYNWDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-18-9-13(2,3)10-19-12-7-5-11(6-8-12)14(15,16)17/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.72, 6 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-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 79621726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).