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

C17H27NO — CID 115279600

IUPAC4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(C)C2CCCCCC2)cc(C)c1O
InChIInChI=1S/C17H27NO/c1-13-10-15(11-14(2)17(13)19)12-18(3)16-8-6-4-5-7-9-16/h10-11,16,19H,4-9,12H2,1-3H3
InChIKeySKZJRAAKBPSMQO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.16
Rot. Bonds3

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

4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 115279600) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
PubChem CID115279600
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(C)C2CCCCCC2)cc(C)c1O
InChIInChI=1S/C17H27NO/c1-13-10-15(11-14(2)17(13)19)12-18(3)16-8-6-4-5-7-9-16/h10-11,16,19H,4-9,12H2,1-3H3
InChIKeySKZJRAAKBPSMQO-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780
4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
CID 4916282
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium
CID 7319529
CID 174466109
CID 174466109
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cycloheptanamine
CID 103438311
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexanamine
CID 103438253
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618

Frequently Asked Questions

What is the IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol (CID 115279600) is 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol is Cc1cc(CN(C)C2CCCCCC2)cc(C)c1O.
What is the InChIKey of 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is SKZJRAAKBPSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-10-15(11-14(2)17(13)19)12-18(3)16-8-6-4-5-7-9-16/h10-11,16,19H,4-9,12H2,1-3H3.
What are the key properties of 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol?
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 261.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 115279600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).