2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine

C14H20F3NO — CID 65256118

IUPAC2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCC(C)(CN)CCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,10-18)7-4-8-19-12-6-3-5-11(9-12)14(15,16)17/h3,5-6,9H,4,7-8,10,18H2,1-2H3
InChIKeyYGLNIHUCHSCGIN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.85
Rot. Bonds6

About 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine

2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 65256118) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID65256118
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCC(C)(CN)CCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,10-18)7-4-8-19-12-6-3-5-11(9-12)14(15,16)17/h3,5-6,9H,4,7-8,10,18H2,1-2H3
InChIKeyYGLNIHUCHSCGIN-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 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 ≤ 53.85
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

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
2,2-dimethyl-4-[3-(trifluoromethyl)phenoxy]butanethioamide
CID 65247944
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
5-(4-bromo-3-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65256229
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
1-(3-propan-2-ylsulfanylpropoxy)-3-(trifluoromethyl)benzene
CID 71429774
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine (CID 65256118) is 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine is CC(C)(CN)CCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is YGLNIHUCHSCGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2,10-18)7-4-8-19-12-6-3-5-11(9-12)14(15,16)17/h3,5-6,9H,4,7-8,10,18H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine?
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 65256118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).