6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one

C15H17F3N2O2 — CID 165410858

IUPAC6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cc(CNC1CCC[C@H]1O)cc2C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-5-8(4-9-10(11)7-20-14(9)22)6-19-12-2-1-3-13(12)21/h4-5,12-13,19,21H,1-3,6-7H2,(H,20,22)/t12?,13-/m1/s1
InChIKeyDZMGYBAYGKOHPA-ZGTCLIOFSA-N
MW314.31 g/mol
LogP1.95
Rot. Bonds3

About 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one

6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one (PubChem CID 165410858) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
PubChem CID165410858
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cc(CNC1CCC[C@H]1O)cc2C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-5-8(4-9-10(11)7-20-14(9)22)6-19-12-2-1-3-13(12)21/h4-5,12-13,19,21H,1-3,6-7H2,(H,20,22)/t12?,13-/m1/s1
InChIKeyDZMGYBAYGKOHPA-ZGTCLIOFSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[[4-amino-3-nitro-5-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol
CID 166556250
cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557412
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
6-(2-bromoacetyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 167420919
6-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 175947754
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
ethyl (3S)-3-(cyclobutylmethylamino)-3-[3-oxo-7-(trifluoromethyl)-1,2-dihydroisoindol-5-yl]propanoate
CID 172589177
2-[4-[[3-oxo-7-(trifluoromethyl)-1,2-dihydroisoindol-5-yl]methyl]morpholin-2-yl]acetonitrile
CID 155435354
6-[(1S)-1-[(1-methylcyclobutyl)amino]ethyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 175947783
4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 62365273
2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 62365258

Frequently Asked Questions

What is the IUPAC name of 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one (CID 165410858) is 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cc(CNC1CCC[C@H]1O)cc2C(F)(F)F.
What is the InChIKey of 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The InChIKey is DZMGYBAYGKOHPA-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)11-5-8(4-9-10(11)7-20-14(9)22)6-19-12-2-1-3-13(12)21/h4-5,12-13,19,21H,1-3,6-7H2,(H,20,22)/t12?,13-/m1/s1.
What are the key properties of 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one has a molecular weight of 314.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 165410858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).