3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine

C14H20F3NO — CID 103025674

IUPAC3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCNC(CC(C)(C)OC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,19-4)9-12(18-3)10-6-5-7-11(8-10)14(15,16)17/h5-8,12,18H,9H2,1-4H3
InChIKeySETHAROVYACNBK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.78
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine

3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 103025674) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID103025674
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCNC(CC(C)(C)OC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,19-4)9-12(18-3)10-6-5-7-11(8-10)14(15,16)17/h5-8,12,18H,9H2,1-4H3
InChIKeySETHAROVYACNBK-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 103025674) is 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is CNC(CC(C)(C)OC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is SETHAROVYACNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2,19-4)9-12(18-3)10-6-5-7-11(8-10)14(15,16)17/h5-8,12,18H,9H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 103025674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).