2-[(3-methoxyanilino)methyl]phenol

C14H15NO2 — CID 853656

IUPAC2-[(3-methoxyanilino)methyl]phenol
SMILESCOc1cccc(NCc2ccccc2O)c1
InChIInChI=1S/C14H15NO2/c1-17-13-7-4-6-12(9-13)15-10-11-5-2-3-8-14(11)16/h2-9,15-16H,10H2,1H3
InChIKeyRPTNQPWTZCSQDB-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3-methoxyanilino)methyl]phenol

2-[(3-methoxyanilino)methyl]phenol (PubChem CID 853656) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(3-methoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(3-methoxyanilino)methyl]phenol
PubChem CID853656
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[(3-methoxyanilino)methyl]phenol
SMILESCOc1cccc(NCc2ccccc2O)c1
InChIInChI=1S/C14H15NO2/c1-17-13-7-4-6-12(9-13)15-10-11-5-2-3-8-14(11)16/h2-9,15-16H,10H2,1H3
InChIKeyRPTNQPWTZCSQDB-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyanilino)methyl]phenol?
The IUPAC name of 2-[(3-methoxyanilino)methyl]phenol (CID 853656) is 2-[(3-methoxyanilino)methyl]phenol.
What is the SMILES notation for 2-[(3-methoxyanilino)methyl]phenol?
The canonical SMILES for 2-[(3-methoxyanilino)methyl]phenol is COc1cccc(NCc2ccccc2O)c1.
What is the InChIKey of 2-[(3-methoxyanilino)methyl]phenol?
The InChIKey is RPTNQPWTZCSQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-13-7-4-6-12(9-13)15-10-11-5-2-3-8-14(11)16/h2-9,15-16H,10H2,1H3.
What are the key properties of 2-[(3-methoxyanilino)methyl]phenol?
2-[(3-methoxyanilino)methyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyanilino)methyl]phenol is sourced from PubChem (CID 853656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).