[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol

C14H18F3NO2 — CID 103740393

IUPAC[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cccc(OC(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-12-5-3-4-11(8-12)9-18-13(10-19)6-1-2-7-13/h3-5,8,18-19H,1-2,6-7,9-10H2
InChIKeyXDQGNCAEUJVRPF-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.98
Rot. Bonds5

About [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol

[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol (PubChem CID 103740393) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol
PubChem CID103740393
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cccc(OC(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-12-5-3-4-11(8-12)9-18-13(10-19)6-1-2-7-13/h3-5,8,18-19H,1-2,6-7,9-10H2
InChIKeyXDQGNCAEUJVRPF-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
CID 115763085
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 65025042
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
CID 77028030
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 103645114
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol (CID 103740393) is [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol is OCC1(NCc2cccc(OC(F)(F)F)c2)CCCC1.
What is the InChIKey of [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol?
The InChIKey is XDQGNCAEUJVRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)20-12-5-3-4-11(8-12)9-18-13(10-19)6-1-2-7-13/h3-5,8,18-19H,1-2,6-7,9-10H2.
What are the key properties of [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol?
[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol has a molecular weight of 289.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol is sourced from PubChem (CID 103740393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).