2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol

C17H26ClNO — CID 103965690

IUPAC2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2cccc(Cl)c2O)CC(C)(C)C1
InChIInChI=1S/C17H26ClNO/c1-16(2)8-13(9-17(3,4)11-16)19-10-12-6-5-7-14(18)15(12)20/h5-7,13,19-20H,8-11H2,1-4H3
InChIKeySOZOVVNQZUBVGG-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.74
Rot. Bonds3

About 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol

2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol (PubChem CID 103965690) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
PubChem CID103965690
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2cccc(Cl)c2O)CC(C)(C)C1
InChIInChI=1S/C17H26ClNO/c1-16(2)8-13(9-17(3,4)11-16)19-10-12-6-5-7-14(18)15(12)20/h5-7,13,19-20H,8-11H2,1-4H3
InChIKeySOZOVVNQZUBVGG-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.74
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-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 103965652
2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965532
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
CID 112606932
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
CID 103966216
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
CID 81422757
N-[(4-chloro-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114842619

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol (CID 103965690) is 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol is CC1(C)CC(NCc2cccc(Cl)c2O)CC(C)(C)C1.
What is the InChIKey of 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The InChIKey is SOZOVVNQZUBVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-16(2)8-13(9-17(3,4)11-16)19-10-12-6-5-7-14(18)15(12)20/h5-7,13,19-20H,8-11H2,1-4H3.
What are the key properties of 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol has a molecular weight of 295.85 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 103965690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).