4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol

C15H24N2O — CID 55062333

IUPAC4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC2CCC(N)CC2)cc(C)c1O
InChIInChI=1S/C15H24N2O/c1-10-7-12(8-11(2)15(10)18)9-17-14-5-3-13(16)4-6-14/h7-8,13-14,17-18H,3-6,9,16H2,1-2H3
InChIKeyFLAUDUDWMMVBNF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.37
Rot. Bonds3

About 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol

4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 55062333) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol
PubChem CID55062333
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC2CCC(N)CC2)cc(C)c1O
InChIInChI=1S/C15H24N2O/c1-10-7-12(8-11(2)15(10)18)9-17-14-5-3-13(16)4-6-14/h7-8,13-14,17-18H,3-6,9,16H2,1-2H3
InChIKeyFLAUDUDWMMVBNF-UHFFFAOYSA-N
XLogP2.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 64742198
4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 62365273
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314391
4-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62312789
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
4-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62319975
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 43276848
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105378440
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol (CID 55062333) is 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol is Cc1cc(CNC2CCC(N)CC2)cc(C)c1O.
What is the InChIKey of 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is FLAUDUDWMMVBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-7-12(8-11(2)15(10)18)9-17-14-5-3-13(16)4-6-14/h7-8,13-14,17-18H,3-6,9,16H2,1-2H3.
What are the key properties of 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol?
4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 248.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 55062333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).