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

C13H18F3NO — CID 79197895

IUPAC2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1ccc(C(F)(F)F)cc1)C(C)(C)OC
InChIInChI=1S/C13H18F3NO/c1-12(2,18-4)11(17-3)9-5-7-10(8-6-9)13(14,15)16/h5-8,11,17H,1-4H3
InChIKeyNWFWLNXWGTWVNE-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.39
Rot. Bonds4

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

2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 79197895) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID79197895
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1ccc(C(F)(F)F)cc1)C(C)(C)OC
InChIInChI=1S/C13H18F3NO/c1-12(2,18-4)11(17-3)9-5-7-10(8-6-9)13(14,15)16/h5-8,11,17H,1-4H3
InChIKeyNWFWLNXWGTWVNE-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852186
1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197545
[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105275560
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197907
1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197204
(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 92974659
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
1-[chloro(methoxy)methyl]-4-(trifluoromethyl)benzene
CID 15657440
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine
CID 63999141
2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 116718838
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 135133777

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 79197895) is 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is CNC(c1ccc(C(F)(F)F)cc1)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is NWFWLNXWGTWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-12(2,18-4)11(17-3)9-5-7-10(8-6-9)13(14,15)16/h5-8,11,17H,1-4H3.
What are the key properties of 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 79197895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).