[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol

C15H20F2N2O4 — CID 111468856

IUPAC[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1cc([N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C15H20F2N2O4/c1-15(9-20)6-2-3-13(15)18-8-10-7-11(19(21)22)4-5-12(10)23-14(16)17/h4-5,7,13-14,18,20H,2-3,6,8-9H2,1H3
InChIKeyHUAAEBQVARBYJE-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.84
Rot. Bonds7

About [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol

[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol (PubChem CID 111468856) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol
PubChem CID111468856
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1cc([N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C15H20F2N2O4/c1-15(9-20)6-2-3-13(15)18-8-10-7-11(19(21)22)4-5-12(10)23-14(16)17/h4-5,7,13-14,18,20H,2-3,6,8-9H2,1H3
InChIKeyHUAAEBQVARBYJE-UHFFFAOYSA-N
XLogP2.84
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
CID 111468790
1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol
CID 110922663
N-[[2-(difluoromethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 55148367
2-(chloromethyl)-1-(difluoromethoxy)-4-nitrobenzene
CID 43472992
[1-methyl-2-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methylamino]cyclopentyl]methanol
CID 111468862
N-[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-methyl-4-nitrobenzenesulfonamide
CID 97003937
[2-[(2-methoxyphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468885
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
methyl 2-amino-3-[2-(difluoromethoxy)-5-nitrophenyl]propanoate
CID 170883403
[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468980
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 79831906

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol (CID 111468856) is [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1NCc1cc([N+](=O)[O-])ccc1OC(F)F.
What is the InChIKey of [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol?
The InChIKey is HUAAEBQVARBYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c1-15(9-20)6-2-3-13(15)18-8-10-7-11(19(21)22)4-5-12(10)23-14(16)17/h4-5,7,13-14,18,20H,2-3,6,8-9H2,1H3.
What are the key properties of [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol?
[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol has a molecular weight of 330.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 111468856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).