2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol

C16H21Cl2NO — CID 107679442

IUPAC2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
SMILESCC1(C)C2CCC1(C)C(Nc1cc(Cl)c(O)c(Cl)c1)C2
InChIInChI=1S/C16H21Cl2NO/c1-15(2)9-4-5-16(15,3)13(6-9)19-10-7-11(17)14(20)12(18)8-10/h7-9,13,19-20H,4-6H2,1-3H3
InChIKeyAJMUPYYEOPIVMT-UHFFFAOYSA-N
MW314.26 g/mol
LogP5.33
Rot. Bonds2

About 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol

2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol (PubChem CID 107679442) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
PubChem CID107679442
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
SMILESCC1(C)C2CCC1(C)C(Nc1cc(Cl)c(O)c(Cl)c1)C2
InChIInChI=1S/C16H21Cl2NO/c1-15(2)9-4-5-16(15,3)13(6-9)19-10-7-11(17)14(20)12(18)8-10/h7-9,13,19-20H,4-6H2,1-3H3
InChIKeyAJMUPYYEOPIVMT-UHFFFAOYSA-N
XLogP5.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.26
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzonitrile
CID 63423457
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63420128
[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
CID 63022469
N-(2-bromo-4-chlorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81264327
N-(4-bromo-3-methoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82857334
6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine
CID 116812924
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
CID 68562505
N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63427171
4-(hydroxymethyl)-2,6-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
CID 142768919
N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55197879

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol?
The IUPAC name of 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol (CID 107679442) is 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol is CC1(C)C2CCC1(C)C(Nc1cc(Cl)c(O)c(Cl)c1)C2.
What is the InChIKey of 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol?
The InChIKey is AJMUPYYEOPIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-15(2)9-4-5-16(15,3)13(6-9)19-10-7-11(17)14(20)12(18)8-10/h7-9,13,19-20H,4-6H2,1-3H3.
What are the key properties of 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol?
2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol has a molecular weight of 314.26 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol is sourced from PubChem (CID 107679442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).