2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine

C14H20F3NO — CID 107523851

IUPAC2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(C)C(C)OCC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-9(2)10(3)19-8-13(18)11-4-6-12(7-5-11)14(15,16)17/h4-7,9-10,13H,8,18H2,1-3H3
InChIKeyFJWFAOSTPRUCQR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107523851) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID107523851
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(C)C(C)OCC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-9(2)10(3)19-8-13(18)11-4-6-12(7-5-11)14(15,16)17/h4-7,9-10,13H,8,18H2,1-3H3
InChIKeyFJWFAOSTPRUCQR-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275444
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521840
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
1-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
CID 177016674

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 107523851) is 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(C)C(C)OCC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FJWFAOSTPRUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9(2)10(3)19-8-13(18)11-4-6-12(7-5-11)14(15,16)17/h4-7,9-10,13H,8,18H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 275.31 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107523851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).