2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol

C14H15ClN2O — CID 112555002

IUPAC2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ccc(NCc2cccc(Cl)c2O)c(C)n1
InChIInChI=1S/C14H15ClN2O/c1-9-6-7-13(10(2)17-9)16-8-11-4-3-5-12(15)14(11)18/h3-7,16,18H,8H2,1-2H3
InChIKeyJPWPFNBFMJOPKW-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.67
Rot. Bonds3

About 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol

2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 112555002) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
PubChem CID112555002
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ccc(NCc2cccc(Cl)c2O)c(C)n1
InChIInChI=1S/C14H15ClN2O/c1-9-6-7-13(10(2)17-9)16-8-11-4-3-5-12(15)14(11)18/h3-7,16,18H,8H2,1-2H3
InChIKeyJPWPFNBFMJOPKW-UHFFFAOYSA-N
XLogP3.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
CID 107631121
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
CID 104599949
2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
2-chloro-6-[(2,4-dibromoanilino)methyl]phenol
CID 112606455
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 115904226
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol (CID 112555002) is 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol is Cc1ccc(NCc2cccc(Cl)c2O)c(C)n1.
What is the InChIKey of 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is JPWPFNBFMJOPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-6-7-13(10(2)17-9)16-8-11-4-3-5-12(15)14(11)18/h3-7,16,18H,8H2,1-2H3.
What are the key properties of 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol?
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol has a molecular weight of 262.74 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 112555002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).