2-amino-5-(N-(3-methylphenyl)anilino)phenol

C19H18N2O — CID 13007188

IUPAC2-amino-5-(N-(3-methylphenyl)anilino)phenol
SMILESCc1cccc(N(c2ccccc2)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C19H18N2O/c1-14-6-5-9-16(12-14)21(15-7-3-2-4-8-15)17-10-11-18(20)19(22)13-17/h2-13,22H,20H2,1H3
InChIKeyUPKSAARKULSETK-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.75
Rot. Bonds3

About 2-amino-5-(N-(3-methylphenyl)anilino)phenol

2-amino-5-(N-(3-methylphenyl)anilino)phenol (PubChem CID 13007188) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-amino-5-(N-(3-methylphenyl)anilino)phenol.

Molecular Properties

Compound Name2-amino-5-(N-(3-methylphenyl)anilino)phenol
PubChem CID13007188
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-amino-5-(N-(3-methylphenyl)anilino)phenol
SMILESCc1cccc(N(c2ccccc2)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C19H18N2O/c1-14-6-5-9-16(12-14)21(15-7-3-2-4-8-15)17-10-11-18(20)19(22)13-17/h2-13,22H,20H2,1H3
InChIKeyUPKSAARKULSETK-UHFFFAOYSA-N
XLogP4.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(N-(3-methylphenyl)anilino)phenol?
The IUPAC name of 2-amino-5-(N-(3-methylphenyl)anilino)phenol (CID 13007188) is 2-amino-5-(N-(3-methylphenyl)anilino)phenol.
What is the SMILES notation for 2-amino-5-(N-(3-methylphenyl)anilino)phenol?
The canonical SMILES for 2-amino-5-(N-(3-methylphenyl)anilino)phenol is Cc1cccc(N(c2ccccc2)c2ccc(N)c(O)c2)c1.
What is the InChIKey of 2-amino-5-(N-(3-methylphenyl)anilino)phenol?
The InChIKey is UPKSAARKULSETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-6-5-9-16(12-14)21(15-7-3-2-4-8-15)17-10-11-18(20)19(22)13-17/h2-13,22H,20H2,1H3.
What are the key properties of 2-amino-5-(N-(3-methylphenyl)anilino)phenol?
2-amino-5-(N-(3-methylphenyl)anilino)phenol has a molecular weight of 290.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(N-(3-methylphenyl)anilino)phenol is sourced from PubChem (CID 13007188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).