2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol

C15H16ClNO2 — CID 107677911

IUPAC2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
SMILESCOc1ccc(C)cc1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-3-6-15(19-2)11(7-10)9-17-12-4-5-14(18)13(16)8-12/h3-8,17-18H,9H2,1-2H3
InChIKeyWRIVVLUCXNEVJB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol

2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol (PubChem CID 107677911) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
PubChem CID107677911
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
SMILESCOc1ccc(C)cc1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-3-6-15(19-2)11(7-10)9-17-12-4-5-14(18)13(16)8-12/h3-8,17-18H,9H2,1-2H3
InChIKeyWRIVVLUCXNEVJB-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
CID 43736330
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-nitroaniline
CID 82865332
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[(5-chloro-2,4-dimethoxyanilino)methyl]-4-methylphenol
CID 63323505
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol?
The IUPAC name of 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol (CID 107677911) is 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol.
What is the SMILES notation for 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol?
The canonical SMILES for 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol is COc1ccc(C)cc1CNc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol?
The InChIKey is WRIVVLUCXNEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-3-6-15(19-2)11(7-10)9-17-12-4-5-14(18)13(16)8-12/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol?
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol 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-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol is sourced from PubChem (CID 107677911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).