N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine

C13H16F3NO — CID 66025755

IUPACN-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
SMILESCNCC1(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c1-17-9-12(6-7-12)8-10-2-4-11(5-3-10)18-13(14,15)16/h2-5,17H,6-9H2,1H3
InChIKeyFIOFTAIYGQHURO-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine

N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine (PubChem CID 66025755) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
PubChem CID66025755
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
SMILESCNCC1(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c1-17-9-12(6-7-12)8-10-2-4-11(5-3-10)18-13(14,15)16/h2-5,17H,6-9H2,1H3
InChIKeyFIOFTAIYGQHURO-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
1-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzene
CID 106798588
3-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]oxolane
CID 66042036
2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
CID 18999492
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
trans-(1R,2S)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 58954834
trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 58954817
1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843446
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine (CID 66025755) is N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine is CNCC1(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine?
The InChIKey is FIOFTAIYGQHURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-17-9-12(6-7-12)8-10-2-4-11(5-3-10)18-13(14,15)16/h2-5,17H,6-9H2,1H3.
What are the key properties of N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine?
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine is sourced from PubChem (CID 66025755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).