2-amino-4-[(4-hydroxyanilino)methyl]phenol

C13H14N2O2 — CID 105487893

IUPAC2-amino-4-[(4-hydroxyanilino)methyl]phenol
SMILESNc1cc(CNc2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H14N2O2/c14-12-7-9(1-6-13(12)17)8-15-10-2-4-11(16)5-3-10/h1-7,15-17H,8,14H2
InChIKeyRMWYPIKZSJENKF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-4-[(4-hydroxyanilino)methyl]phenol

2-amino-4-[(4-hydroxyanilino)methyl]phenol (PubChem CID 105487893) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-4-[(4-hydroxyanilino)methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[(4-hydroxyanilino)methyl]phenol
PubChem CID105487893
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-amino-4-[(4-hydroxyanilino)methyl]phenol
SMILESNc1cc(CNc2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H14N2O2/c14-12-7-9(1-6-13(12)17)8-15-10-2-4-11(16)5-3-10/h1-7,15-17H,8,14H2
InChIKeyRMWYPIKZSJENKF-UHFFFAOYSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
2-amino-4-(hydroxymethyl)phenol
CID 12000270
4-(benzylamino)phenol;hydrochloride
CID 16738613
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
[4-[(4-hydroxyanilino)methyl]phenyl] sulfamate
CID 23508527
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-hydroxyanilino)methyl]phenol?
The IUPAC name of 2-amino-4-[(4-hydroxyanilino)methyl]phenol (CID 105487893) is 2-amino-4-[(4-hydroxyanilino)methyl]phenol.
What is the SMILES notation for 2-amino-4-[(4-hydroxyanilino)methyl]phenol?
The canonical SMILES for 2-amino-4-[(4-hydroxyanilino)methyl]phenol is Nc1cc(CNc2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-amino-4-[(4-hydroxyanilino)methyl]phenol?
The InChIKey is RMWYPIKZSJENKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-12-7-9(1-6-13(12)17)8-15-10-2-4-11(16)5-3-10/h1-7,15-17H,8,14H2.
What are the key properties of 2-amino-4-[(4-hydroxyanilino)methyl]phenol?
2-amino-4-[(4-hydroxyanilino)methyl]phenol has a molecular weight of 230.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-hydroxyanilino)methyl]phenol is sourced from PubChem (CID 105487893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).