[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol

C20H22F3NO2 — CID 143834734

IUPAC[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol
SMILESC[C@@]1(CO)C[C@@H](OCc2ccc(F)c(F)c2)C[C@@]1(N)c1ccccc1F
InChIInChI=1S/C20H22F3NO2/c1-19(12-25)9-14(26-11-13-6-7-17(22)18(23)8-13)10-20(19,24)15-4-2-3-5-16(15)21/h2-8,14,25H,9-12,24H2,1H3/t14-,19+,20-/m1/s1
InChIKeyIYVXEIFIRDKFFJ-VOBQZIQPSA-N
MW365.40 g/mol
LogP3.64
Rot. Bonds5

About [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol

[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol (PubChem CID 143834734) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol
PubChem CID143834734
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol
SMILESC[C@@]1(CO)C[C@@H](OCc2ccc(F)c(F)c2)C[C@@]1(N)c1ccccc1F
InChIInChI=1S/C20H22F3NO2/c1-19(12-25)9-14(26-11-13-6-7-17(22)18(23)8-13)10-20(19,24)15-4-2-3-5-16(15)21/h2-8,14,25H,9-12,24H2,1H3/t14-,19+,20-/m1/s1
InChIKeyIYVXEIFIRDKFFJ-VOBQZIQPSA-N
XLogP3.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol with MolForge

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Related Compounds

(3aS,5S,6aR)-5-[(3,4-difluorophenyl)methoxy]-3a-(2-fluorophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan
CID 157091197
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 68673997
(1S,5R)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68673996
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
(3aR,6R,7aS)-7a-(2-fluorophenyl)-6-phenylmethoxy-3,3a,4,5,6,7-hexahydro-1H-2,1-benzoxazole
CID 67477921
2-O-[(3,4-difluorophenyl)methyl] 1-O-tetradecyl benzene-1,2-dicarboxylate
CID 91720074
[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol
CID 156775293
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol?
The IUPAC name of [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol (CID 143834734) is [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol is C[C@@]1(CO)C[C@@H](OCc2ccc(F)c(F)c2)C[C@@]1(N)c1ccccc1F.
What is the InChIKey of [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol?
The InChIKey is IYVXEIFIRDKFFJ-VOBQZIQPSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-19(12-25)9-14(26-11-13-6-7-17(22)18(23)8-13)10-20(19,24)15-4-2-3-5-16(15)21/h2-8,14,25H,9-12,24H2,1H3/t14-,19+,20-/m1/s1.
What are the key properties of [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol?
[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol has a molecular weight of 365.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol is sourced from PubChem (CID 143834734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).