2-chloro-6-[(2,5-dimethylanilino)methyl]phenol

C15H16ClNO — CID 112553770

IUPAC2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
SMILESCc1ccc(C)c(NCc2cccc(Cl)c2O)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-11(2)14(8-10)17-9-12-4-3-5-13(16)15(12)18/h3-8,17-18H,9H2,1-2H3
InChIKeyCHUGDJALGFPUDS-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.27
Rot. Bonds3

About 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol

2-chloro-6-[(2,5-dimethylanilino)methyl]phenol (PubChem CID 112553770) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
PubChem CID112553770
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
SMILESCc1ccc(C)c(NCc2cccc(Cl)c2O)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-11(2)14(8-10)17-9-12-4-3-5-13(16)15(12)18/h3-8,17-18H,9H2,1-2H3
InChIKeyCHUGDJALGFPUDS-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.27
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

2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
CID 107631121
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
CID 126125728
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785
2-chloro-6-[(3-iodo-4-methylanilino)methyl]phenol
CID 112606492
2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
CID 112553733
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol (CID 112553770) is 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol is Cc1ccc(C)c(NCc2cccc(Cl)c2O)c1.
What is the InChIKey of 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol?
The InChIKey is CHUGDJALGFPUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-7-11(2)14(8-10)17-9-12-4-3-5-13(16)15(12)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol?
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol has a molecular weight of 261.75 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,5-dimethylanilino)methyl]phenol is sourced from PubChem (CID 112553770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).