2-[(2,5-diaminophenyl)methyl]phenol

C13H14N2O — CID 59646189

IUPAC2-[(2,5-diaminophenyl)methyl]phenol
SMILESNc1ccc(N)c(Cc2ccccc2O)c1
InChIInChI=1S/C13H14N2O/c14-11-5-6-12(15)10(8-11)7-9-3-1-2-4-13(9)16/h1-6,8,16H,7,14-15H2
InChIKeyMBUGDMKNVJPOQV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.15
Rot. Bonds2

About 2-[(2,5-diaminophenyl)methyl]phenol

2-[(2,5-diaminophenyl)methyl]phenol (PubChem CID 59646189) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(2,5-diaminophenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(2,5-diaminophenyl)methyl]phenol
PubChem CID59646189
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[(2,5-diaminophenyl)methyl]phenol
SMILESNc1ccc(N)c(Cc2ccccc2O)c1
InChIInChI=1S/C13H14N2O/c14-11-5-6-12(15)10(8-11)7-9-3-1-2-4-13(9)16/h1-6,8,16H,7,14-15H2
InChIKeyMBUGDMKNVJPOQV-UHFFFAOYSA-N
XLogP2.15
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170
2-[(4-amino-2-pyridinyl)methyl]phenol
CID 54024998
2-[[2-(aminomethyl)phenyl]methyl]phenol
CID 174458594
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385
bis(4-amino-2-(aminomethyl)phenol);dihydrochloride
CID 91620372
2-(2,5-diaminophenyl)ethanol
CID 160672831
4-amino-2-(aminomethyl)phenol;dihydrochloride
CID 5463812
benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
CID 174915538
6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
CID 101277558
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
CID 55050237
2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
CID 159187448

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diaminophenyl)methyl]phenol?
The IUPAC name of 2-[(2,5-diaminophenyl)methyl]phenol (CID 59646189) is 2-[(2,5-diaminophenyl)methyl]phenol.
What is the SMILES notation for 2-[(2,5-diaminophenyl)methyl]phenol?
The canonical SMILES for 2-[(2,5-diaminophenyl)methyl]phenol is Nc1ccc(N)c(Cc2ccccc2O)c1.
What is the InChIKey of 2-[(2,5-diaminophenyl)methyl]phenol?
The InChIKey is MBUGDMKNVJPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-11-5-6-12(15)10(8-11)7-9-3-1-2-4-13(9)16/h1-6,8,16H,7,14-15H2.
What are the key properties of 2-[(2,5-diaminophenyl)methyl]phenol?
2-[(2,5-diaminophenyl)methyl]phenol has a molecular weight of 214.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diaminophenyl)methyl]phenol is sourced from PubChem (CID 59646189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).