1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol

C15H20F2N2O4 — CID 110922663

IUPAC1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C15H20F2N2O4/c16-14(17)23-13-5-4-12(19(21)22)8-11(13)9-18-10-15(20)6-2-1-3-7-15/h4-5,8,14,18,20H,1-3,6-7,9-10H2
InChIKeyRGHPRNFJMXHSAS-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.98
Rot. Bonds7

About 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol

1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 110922663) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID110922663
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C15H20F2N2O4/c16-14(17)23-13-5-4-12(19(21)22)8-11(13)9-18-10-15(20)6-2-1-3-7-15/h4-5,8,14,18,20H,1-3,6-7,9-10H2
InChIKeyRGHPRNFJMXHSAS-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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

1-[[(2-bromo-4-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 65109167
[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol
CID 111468856
N-[[2-(difluoromethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 55148367
2-(chloromethyl)-1-(difluoromethoxy)-4-nitrobenzene
CID 43472992
4-[[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 78928486
1-[(2-fluoro-4-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213546
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 62404749
1-[(2-iodo-4-nitroanilino)methyl]cyclohexan-1-ol
CID 66095755
methyl 2-amino-3-[2-(difluoromethoxy)-5-nitrophenyl]propanoate
CID 170883403
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol (CID 110922663) is 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol is O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is RGHPRNFJMXHSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c16-14(17)23-13-5-4-12(19(21)22)8-11(13)9-18-10-15(20)6-2-1-3-7-15/h4-5,8,14,18,20H,1-3,6-7,9-10H2.
What are the key properties of 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol?
1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 330.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110922663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).