3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

C15H22F3NO — CID 116720086

IUPAC3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)C(OC)C(C)C
InChIInChI=1S/C15H22F3NO/c1-10(2)14(20-4)13(19-3)9-11-6-5-7-12(8-11)15(16,17)18/h5-8,10,13-14,19H,9H2,1-4H3
InChIKeyKKFNNDYDPKZQNG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.51
Rot. Bonds6

About 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 116720086) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID116720086
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)C(OC)C(C)C
InChIInChI=1S/C15H22F3NO/c1-10(2)14(20-4)13(19-3)9-11-6-5-7-12(8-11)15(16,17)18/h5-8,10,13-14,19H,9H2,1-4H3
InChIKeyKKFNNDYDPKZQNG-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 116712081

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (CID 116720086) is 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is CNC(Cc1cccc(C(F)(F)F)c1)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is KKFNNDYDPKZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-10(2)14(20-4)13(19-3)9-11-6-5-7-12(8-11)15(16,17)18/h5-8,10,13-14,19H,9H2,1-4H3.
What are the key properties of 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 116720086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).