2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol

C17H25NO — CID 2942223

IUPAC2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
SMILESCC1(C)C2CCC1(C)C(NCc1ccccc1O)C2
InChIInChI=1S/C17H25NO/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-6-4-5-7-14(12)19/h4-7,13,15,18-19H,8-11H2,1-3H3
InChIKeyAVTKPBRAYCSVAB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.70
Rot. Bonds3

About 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol

2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol (PubChem CID 2942223) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
PubChem CID2942223
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
SMILESCC1(C)C2CCC1(C)C(NCc1ccccc1O)C2
InChIInChI=1S/C17H25NO/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-6-4-5-7-14(12)19/h4-7,13,15,18-19H,8-11H2,1-3H3
InChIKeyAVTKPBRAYCSVAB-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
The IUPAC name of 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol (CID 2942223) is 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol is CC1(C)C2CCC1(C)C(NCc1ccccc1O)C2.
What is the InChIKey of 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
The InChIKey is AVTKPBRAYCSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-6-4-5-7-14(12)19/h4-7,13,15,18-19H,8-11H2,1-3H3.
What are the key properties of 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol has a molecular weight of 259.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol is sourced from PubChem (CID 2942223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).