1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine

C16H24F3NO — CID 146212757

IUPAC1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine
SMILESCCC(N)COC(C)c1cc(C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-5-15(20)9-21-11(4)13-6-12(10(2)3)7-14(8-13)16(17,18)19/h6-8,10-11,15H,5,9,20H2,1-4H3
InChIKeyFEELKZGPMUHAQC-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.64
Rot. Bonds6

About 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine

1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine (PubChem CID 146212757) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine.

Molecular Properties

Compound Name1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine
PubChem CID146212757
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine
SMILESCCC(N)COC(C)c1cc(C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-5-15(20)9-21-11(4)13-6-12(10(2)3)7-14(8-13)16(17,18)19/h6-8,10-11,15H,5,9,20H2,1-4H3
InChIKeyFEELKZGPMUHAQC-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171198600
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171218118
1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
CID 18543623
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetaldehyde
CID 89293959
1-[3,5-bis(trifluoromethyl)phenyl]butan-2-amine
CID 79020904
2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride
CID 87973193
ethane;1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene
CID 142256273
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine?
The IUPAC name of 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine (CID 146212757) is 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine.
What is the SMILES notation for 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine?
The canonical SMILES for 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine is CCC(N)COC(C)c1cc(C(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine?
The InChIKey is FEELKZGPMUHAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-5-15(20)9-21-11(4)13-6-12(10(2)3)7-14(8-13)16(17,18)19/h6-8,10-11,15H,5,9,20H2,1-4H3.
What are the key properties of 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine?
1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine has a molecular weight of 303.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine is sourced from PubChem (CID 146212757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).