cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol

C14H19F2NO — CID 125136229

IUPACcis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1c(F)cccc1F)C[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H19F2NO/c1-17(8-10-4-2-7-14(10)18)9-11-12(15)5-3-6-13(11)16/h3,5-6,10,14,18H,2,4,7-9H2,1H3/t10-,14+/m0/s1
InChIKeyMCHXOEMBHLMJIY-IINYFYTJSA-N
MW255.31 g/mol
LogP2.56
Rot. Bonds4

About cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol

cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 125136229) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID125136229
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Namecis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1c(F)cccc1F)C[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H19F2NO/c1-17(8-10-4-2-7-14(10)18)9-11-12(15)5-3-6-13(11)16/h3,5-6,10,14,18H,2,4,7-9H2,1H3/t10-,14+/m0/s1
InChIKeyMCHXOEMBHLMJIY-IINYFYTJSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 124515968
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 114933070
2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 55094675
(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
CID 109399846
2-[[3-(3-fluorophenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110009639
2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 109398002
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397976
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 125136229) is cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1c(F)cccc1F)C[C@@H]1CCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MCHXOEMBHLMJIY-IINYFYTJSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-17(8-10-4-2-7-14(10)18)9-11-12(15)5-3-6-13(11)16/h3,5-6,10,14,18H,2,4,7-9H2,1H3/t10-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 125136229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).