2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol

C14H20N2O2 — CID 135750215

IUPAC2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/[C@H]2CCCC[C@@H]2N)c1
InChIInChI=1S/C14H20N2O2/c1-18-11-6-7-14(17)10(8-11)9-16-13-5-3-2-4-12(13)15/h6-9,12-13,17H,2-5,15H2,1H3/b16-9+/t12-,13-/m0/s1
InChIKeyJNKXNPQFZGGZTD-CSBKXELUSA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds3

About 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol

2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol (PubChem CID 135750215) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol
PubChem CID135750215
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/[C@H]2CCCC[C@@H]2N)c1
InChIInChI=1S/C14H20N2O2/c1-18-11-6-7-14(17)10(8-11)9-16-13-5-3-2-4-12(13)15/h6-9,12-13,17H,2-5,15H2,1H3/b16-9+/t12-,13-/m0/s1
InChIKeyJNKXNPQFZGGZTD-CSBKXELUSA-N
XLogP2.09
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S,2S)-2-[[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethoxy)phenol
CID 177457494
copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium
CID 142829958
4-hydroxy-3-[N-[(1R,2R)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-C-methylcarbonimidoyl]-6-methylpyran-2-one
CID 135533315
2-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]-4-methoxyphenol
CID 135787711
2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol
CID 135598108
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11348682
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
5-[[(1S,2R)-2-aminocyclohexyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 1402189
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137148214
2-[[2-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137119365
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol (CID 135750215) is 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/[C@H]2CCCC[C@@H]2N)c1.
What is the InChIKey of 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol?
The InChIKey is JNKXNPQFZGGZTD-CSBKXELUSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-11-6-7-14(17)10(8-11)9-16-13-5-3-2-4-12(13)15/h6-9,12-13,17H,2-5,15H2,1H3/b16-9+/t12-,13-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol?
2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol has a molecular weight of 248.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135750215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).