4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine

C12H16F3NO2 — CID 117236740

IUPAC4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCOCCC(N)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-17-6-5-10(16)8-18-11-4-2-3-9(7-11)12(13,14)15/h2-4,7,10H,5-6,8,16H2,1H3
InChIKeyBNXODCNXZZMMPO-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.45
Rot. Bonds6

About 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine

4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine (PubChem CID 117236740) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
PubChem CID117236740
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCOCCC(N)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-17-6-5-10(16)8-18-11-4-2-3-9(7-11)12(13,14)15/h2-4,7,10H,5-6,8,16H2,1H3
InChIKeyBNXODCNXZZMMPO-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

1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
1-(3-bromophenoxy)-4-methoxybutan-2-amine
CID 117236752
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
methyl 4-hydroxy-2-[[3-(trifluoromethyl)phenoxy]methyl]butanoate
CID 117237022
4-methoxy-1-pyridin-3-yloxybutan-2-amine
CID 117236788
2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
CID 117243705
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
The IUPAC name of 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine (CID 117236740) is 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine.
What is the SMILES notation for 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
The canonical SMILES for 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine is COCCC(N)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
The InChIKey is BNXODCNXZZMMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-17-6-5-10(16)8-18-11-4-2-3-9(7-11)12(13,14)15/h2-4,7,10H,5-6,8,16H2,1H3.
What are the key properties of 4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
4-methoxy-1-[3-(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-[3-(trifluoromethyl)phenoxy]butan-2-amine is sourced from PubChem (CID 117236740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).