[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol

C13H16F3NO2 — CID 79479077

IUPAC[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-11-4-2-1-3-10(11)7-17-8-12(9-18)5-6-12/h1-4,17-18H,5-9H2
InChIKeyUNPMJGOIZUKQSG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.45
Rot. Bonds6

About [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol

[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol (PubChem CID 79479077) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
PubChem CID79479077
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-11-4-2-1-3-10(11)7-17-8-12(9-18)5-6-12/h1-4,17-18H,5-9H2
InChIKeyUNPMJGOIZUKQSG-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 106170862
1-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146134402
[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478327
2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750185

Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol (CID 79479077) is [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
The InChIKey is UNPMJGOIZUKQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)19-11-4-2-1-3-10(11)7-17-8-12(9-18)5-6-12/h1-4,17-18H,5-9H2.
What are the key properties of [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol has a molecular weight of 275.27 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).