3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine

C13H18F3NO2 — CID 79616456

IUPAC3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)C(C)OC
InChIInChI=1S/C13H18F3NO2/c1-9(18-3)12(17-2)8-10-4-6-11(7-5-10)19-13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyMSNWHJWAMWYKKG-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.75
Rot. Bonds6

About 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine

3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine (PubChem CID 79616456) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
PubChem CID79616456
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)C(C)OC
InChIInChI=1S/C13H18F3NO2/c1-9(18-3)12(17-2)8-10-4-6-11(7-5-10)19-13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyMSNWHJWAMWYKKG-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084
1-(4-chloro-2-methylpentyl)-4-(trifluoromethoxy)benzene
CID 64720793
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
N-ethyl-1-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65131725

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine (CID 79616456) is 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine is CNC(Cc1ccc(OC(F)(F)F)cc1)C(C)OC.
What is the InChIKey of 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine?
The InChIKey is MSNWHJWAMWYKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(18-3)12(17-2)8-10-4-6-11(7-5-10)19-13(14,15)16/h4-7,9,12,17H,8H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine?
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 79616456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).