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

C15H16ClNO2 — CID 103880785

IUPAC2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cc(C)ccc2Cl)c1O
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-12(16)13(8-10)17-9-11-4-3-5-14(19-2)15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyKSNFQZRJBOTBOY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds4

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

2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol (PubChem CID 103880785) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
PubChem CID103880785
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cc(C)ccc2Cl)c1O
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-12(16)13(8-10)17-9-11-4-3-5-14(19-2)15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyKSNFQZRJBOTBOY-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.97
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-chloro-5-methylanilino)methyl]phenol
CID 107631121
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
CID 43347281
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
3-[(5-chloro-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61319274
2-[(4-chloro-2,5-dimethoxyanilino)methyl]-6-fluorophenol
CID 115950931
2-[(5-bromo-2,4-difluoroanilino)methyl]-6-methoxyphenol
CID 102852747
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol (CID 103880785) is 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol is COc1cccc(CNc2cc(C)ccc2Cl)c1O.
What is the InChIKey of 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol?
The InChIKey is KSNFQZRJBOTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-6-7-12(16)13(8-10)17-9-11-4-3-5-14(19-2)15(11)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol?
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol has a molecular weight of 277.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 103880785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).