2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol

C14H13Cl2NO — CID 107631121

IUPAC2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
SMILESCc1ccc(Cl)c(NCc2cccc(Cl)c2O)c1
InChIInChI=1S/C14H13Cl2NO/c1-9-5-6-11(15)13(7-9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyQBKZWSXQBKMARG-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.62
Rot. Bonds3

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

2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol (PubChem CID 107631121) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
PubChem CID107631121
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
SMILESCc1ccc(Cl)c(NCc2cccc(Cl)c2O)c1
InChIInChI=1S/C14H13Cl2NO/c1-9-5-6-11(15)13(7-9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyQBKZWSXQBKMARG-UHFFFAOYSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.62
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-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
4-chloro-3-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951518
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-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
N-benzyl-2-chloro-5-methylaniline
CID 83290853
2-bromo-6-[(5-bromo-2-chloroanilino)methyl]phenol
CID 63477386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol (CID 107631121) is 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol is Cc1ccc(Cl)c(NCc2cccc(Cl)c2O)c1.
What is the InChIKey of 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol?
The InChIKey is QBKZWSXQBKMARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9-5-6-11(15)13(7-9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol?
2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol has a molecular weight of 282.17 g/mol, XLogP of 4.62, 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-chloro-5-methylanilino)methyl]phenol is sourced from PubChem (CID 107631121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).