5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol

C15H16ClNO2 — CID 107700839

IUPAC5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
SMILESCOc1cccc(Cl)c1CNc1ccc(C)c(O)c1
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-11(8-14(10)18)17-9-12-13(16)4-3-5-15(12)19-2/h3-8,17-18H,9H2,1-2H3
InChIKeyJOTIZDFPKUFQMC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds4

About 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol

5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol (PubChem CID 107700839) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
PubChem CID107700839
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
SMILESCOc1cccc(Cl)c1CNc1ccc(C)c(O)c1
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-11(8-14(10)18)17-9-12-13(16)4-3-5-15(12)19-2/h3-8,17-18H,9H2,1-2H3
InChIKeyJOTIZDFPKUFQMC-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

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Related Compounds

4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
CID 113276536
2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
CID 103293324
3-chloro-2-[(3-iodo-4-methylanilino)methyl]phenol
CID 114318031
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 103292573
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylsulfonylaniline
CID 133475336

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol?
The IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol (CID 107700839) is 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol.
What is the SMILES notation for 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol?
The canonical SMILES for 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol is COc1cccc(Cl)c1CNc1ccc(C)c(O)c1.
What is the InChIKey of 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol?
The InChIKey is JOTIZDFPKUFQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-6-7-11(8-14(10)18)17-9-12-13(16)4-3-5-15(12)19-2/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol?
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol 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 5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol is sourced from PubChem (CID 107700839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).