4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine

C12H16F3NO2 — CID 117236717

IUPAC4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCOCCC(N)COc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-17-7-6-9(16)8-18-11-5-3-2-4-10(11)12(13,14)15/h2-5,9H,6-8,16H2,1H3
InChIKeyPYHUAJPTRVPGID-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.45
Rot. Bonds6

About 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine

4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine (PubChem CID 117236717) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
PubChem CID117236717
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCOCCC(N)COc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-17-7-6-9(16)8-18-11-5-3-2-4-10(11)12(13,14)15/h2-5,9H,6-8,16H2,1H3
InChIKeyPYHUAJPTRVPGID-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
1-(2-chlorophenoxy)-4-methoxybutan-2-amine
CID 117236727
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
4-methoxy-1-N-[2-(trifluoromethyl)phenyl]butane-1,3-diamine
CID 106244540
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine?
The IUPAC name of 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine (CID 117236717) is 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine.
What is the SMILES notation for 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine?
The canonical SMILES for 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine is COCCC(N)COc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine?
The InChIKey is PYHUAJPTRVPGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-17-7-6-9(16)8-18-11-5-3-2-4-10(11)12(13,14)15/h2-5,9H,6-8,16H2,1H3.
What are the key properties of 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine?
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine is sourced from PubChem (CID 117236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).