[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol

C12H14F3NO2 — CID 115763085

IUPAC[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-9(2-4-10)7-16-11(8-17)5-6-11/h1-4,16-17H,5-8H2
InChIKeyXEOBQMKSRPYSNV-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.20
Rot. Bonds5

About [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol

[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol (PubChem CID 115763085) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
PubChem CID115763085
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-9(2-4-10)7-16-11(8-17)5-6-11/h1-4,16-17H,5-8H2
InChIKeyXEOBQMKSRPYSNV-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 65025042
[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol
CID 103740393
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373
N-[1-(hydroxymethyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115902946
[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol
CID 115763173
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 107268326
[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754496
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol (CID 115763085) is [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol is OCC1(NCc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol?
The InChIKey is XEOBQMKSRPYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-9(2-4-10)7-16-11(8-17)5-6-11/h1-4,16-17H,5-8H2.
What are the key properties of [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol?
[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol has a molecular weight of 261.24 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).