2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol

C14H19FN2O3 — CID 115980488

IUPAC2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cc(F)cc(CNCC2CCCCC2O)c1
InChIInChI=1S/C14H19FN2O3/c15-12-5-10(6-13(7-12)17(19)20)8-16-9-11-3-1-2-4-14(11)18/h5-7,11,14,16,18H,1-4,8-9H2
InChIKeyNWWWUCHMSUJNRJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.37
Rot. Bonds5

About 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 115980488) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID115980488
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cc(F)cc(CNCC2CCCCC2O)c1
InChIInChI=1S/C14H19FN2O3/c15-12-5-10(6-13(7-12)17(19)20)8-16-9-11-3-1-2-4-14(11)18/h5-7,11,14,16,18H,1-4,8-9H2
InChIKeyNWWWUCHMSUJNRJ-UHFFFAOYSA-N
XLogP2.37
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol 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

1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-fluoro-5-nitrophenyl)methyl]methanamine
CID 115980466
N-[(3-fluoro-5-nitrophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115980411
1-(1-ethylpiperidin-4-yl)-N-[(3-fluoro-5-nitrophenyl)methyl]methanamine
CID 115980412
2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282883
2-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 103828663
2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol
CID 112646656
2-[[(2-chloro-4-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64911603
3-[(3-fluoro-5-nitrophenyl)methylamino]propanamide
CID 112646669
2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 104953775
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylsulfanylethanamine
CID 112646763
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
3-[(3-fluoro-5-nitrophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 112646829

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol (CID 115980488) is 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol is O=[N+]([O-])c1cc(F)cc(CNCC2CCCCC2O)c1.
What is the InChIKey of 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is NWWWUCHMSUJNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-12-5-10(6-13(7-12)17(19)20)8-16-9-11-3-1-2-4-14(11)18/h5-7,11,14,16,18H,1-4,8-9H2.
What are the key properties of 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 282.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115980488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).