4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol

C15H23NO3 — CID 28609983

IUPAC4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNC2CCCCC2)cc(OC)c1O
InChIInChI=1S/C15H23NO3/c1-18-13-8-11(9-14(19-2)15(13)17)10-16-12-6-4-3-5-7-12/h8-9,12,16-17H,3-7,10H2,1-2H3
InChIKeyQDWMKZFMVRPANO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.83
Rot. Bonds5

About 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol

4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol (PubChem CID 28609983) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
PubChem CID28609983
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNC2CCCCC2)cc(OC)c1O
InChIInChI=1S/C15H23NO3/c1-18-13-8-11(9-14(19-2)15(13)17)10-16-12-6-4-3-5-7-12/h8-9,12,16-17H,3-7,10H2,1-2H3
InChIKeyQDWMKZFMVRPANO-UHFFFAOYSA-N
XLogP2.83
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
4-[[(1,1-dioxothian-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 43614860
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
2,6-dimethoxy-4-[(thiolan-3-ylamino)methyl]phenol
CID 113260995
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 60590073
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol (CID 28609983) is 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol is COc1cc(CNC2CCCCC2)cc(OC)c1O.
What is the InChIKey of 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol?
The InChIKey is QDWMKZFMVRPANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-13-8-11(9-14(19-2)15(13)17)10-16-12-6-4-3-5-7-12/h8-9,12,16-17H,3-7,10H2,1-2H3.
What are the key properties of 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol?
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol has a molecular weight of 265.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 28609983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).