4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol

C15H15ClFNO — CID 106953996

IUPAC4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
SMILESCc1cc(NCc2c(F)cccc2Cl)c(C)cc1O
InChIInChI=1S/C15H15ClFNO/c1-9-7-15(19)10(2)6-14(9)18-8-11-12(16)4-3-5-13(11)17/h3-7,18-19H,8H2,1-2H3
InChIKeyIUZMQZAPLRFSTC-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.41
Rot. Bonds3

About 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol

4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol (PubChem CID 106953996) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
PubChem CID106953996
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
SMILESCc1cc(NCc2c(F)cccc2Cl)c(C)cc1O
InChIInChI=1S/C15H15ClFNO/c1-9-7-15(19)10(2)6-14(9)18-8-11-12(16)4-3-5-13(11)17/h3-7,18-19H,8H2,1-2H3
InChIKeyIUZMQZAPLRFSTC-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol 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-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-2-methylaniline
CID 114256870
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol (CID 106953996) is 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol is Cc1cc(NCc2c(F)cccc2Cl)c(C)cc1O.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol?
The InChIKey is IUZMQZAPLRFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-7-15(19)10(2)6-14(9)18-8-11-12(16)4-3-5-13(11)17/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol?
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol has a molecular weight of 279.74 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106953996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).