2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol

C15H23NO — CID 81422757

IUPAC2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CCCC(NCc2ccccc2O)C1
InChIInChI=1S/C15H23NO/c1-15(2)9-5-7-13(10-15)16-11-12-6-3-4-8-14(12)17/h3-4,6,8,13,16-17H,5,7,9-11H2,1-2H3
InChIKeyUACWWPUPVWHIJU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.45
Rot. Bonds3

About 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol

2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol (PubChem CID 81422757) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
PubChem CID81422757
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CCCC(NCc2ccccc2O)C1
InChIInChI=1S/C15H23NO/c1-15(2)9-5-7-13(10-15)16-11-12-6-3-4-8-14(12)17/h3-4,6,8,13,16-17H,5,7,9-11H2,1-2H3
InChIKeyUACWWPUPVWHIJU-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291
3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79763760
N-(3,3-dimethylcyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 113345738
4-bromo-2-[[(3,3-dimethylcyclopentyl)amino]methyl]phenol
CID 113345596
3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 103965652
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341
4-[[(3,3-dimethylcyclohexyl)amino]methyl]-3-fluorobenzonitrile
CID 81422115
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965690
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol (CID 81422757) is 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol is CC1(C)CCCC(NCc2ccccc2O)C1.
What is the InChIKey of 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol?
The InChIKey is UACWWPUPVWHIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)9-5-7-13(10-15)16-11-12-6-3-4-8-14(12)17/h3-4,6,8,13,16-17H,5,7,9-11H2,1-2H3.
What are the key properties of 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol?
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol has a molecular weight of 233.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 81422757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).