[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol

C14H18F3NO — CID 115358870

IUPAC[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2cc(F)c(F)c(F)c2)CCCC1
InChIInChI=1S/C14H18F3NO/c15-11-5-10(6-12(16)13(11)17)7-18-8-14(9-19)3-1-2-4-14/h5-6,18-19H,1-4,7-9H2
InChIKeyKNANLMJEZLZMNB-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.75
Rot. Bonds5

About [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol

[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 115358870) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID115358870
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2cc(F)c(F)c(F)c2)CCCC1
InChIInChI=1S/C14H18F3NO/c15-11-5-10(6-12(16)13(11)17)7-18-8-14(9-19)3-1-2-4-14/h5-6,18-19H,1-4,7-9H2
InChIKeyKNANLMJEZLZMNB-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965842
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
CID 81411910

Frequently Asked Questions

What is the IUPAC name of [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol (CID 115358870) is [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol is OCC1(CNCc2cc(F)c(F)c(F)c2)CCCC1.
What is the InChIKey of [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is KNANLMJEZLZMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-11-5-10(6-12(16)13(11)17)7-18-8-14(9-19)3-1-2-4-14/h5-6,18-19H,1-4,7-9H2.
What are the key properties of [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 273.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).