5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine

C15H22F3NO — CID 105123547

IUPAC5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-11(20-3)7-8-14(19-2)10-12-5-4-6-13(9-12)15(16,17)18/h4-6,9,11,14,19H,7-8,10H2,1-3H3
InChIKeyIEVKGZOHSHOKKE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.65
Rot. Bonds7

About 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine

5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine (PubChem CID 105123547) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
PubChem CID105123547
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-11(20-3)7-8-14(19-2)10-12-5-4-6-13(9-12)15(16,17)18/h4-6,9,11,14,19H,7-8,10H2,1-3H3
InChIKeyIEVKGZOHSHOKKE-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 116720086
1-ethylsulfanyl-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65127657
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105089113
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
CID 105137006
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine (CID 105123547) is 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine is CNC(CCC(C)OC)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
The InChIKey is IEVKGZOHSHOKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(20-3)7-8-14(19-2)10-12-5-4-6-13(9-12)15(16,17)18/h4-6,9,11,14,19H,7-8,10H2,1-3H3.
What are the key properties of 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine is sourced from PubChem (CID 105123547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).