N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine

C12H14F3NO — CID 112547441

IUPACN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
SMILESCNC1CC1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-16-11-5-8(11)7-17-10-4-2-3-9(6-10)12(13,14)15/h2-4,6,8,11,16H,5,7H2,1H3
InChIKeyJZBJLUVLZHBICP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine

N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine (PubChem CID 112547441) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
PubChem CID112547441
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
SMILESCNC1CC1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-16-11-5-8(11)7-17-10-4-2-3-9(6-10)12(13,14)15/h2-4,6,8,11,16H,5,7H2,1H3
InChIKeyJZBJLUVLZHBICP-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
CID 78066178
(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride
CID 67638594
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
CID 23184385
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 81417477
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
N-(2-bicyclo[2.2.1]heptanyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190091
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 125058906

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine (CID 112547441) is N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine is CNC1CC1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The InChIKey is JZBJLUVLZHBICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-16-11-5-8(11)7-17-10-4-2-3-9(6-10)12(13,14)15/h2-4,6,8,11,16H,5,7H2,1H3.
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine is sourced from PubChem (CID 112547441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).