2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine

C14H16N4O — CID 14771729

IUPAC2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine
SMILESCc1cc(N)ccc1/N=C(\N)Nc1cccc(O)c1
InChIInChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)
InChIKeyHHJKYDLKRGBEDC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.34
Rot. Bonds2

About 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine

2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine (PubChem CID 14771729) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine
PubChem CID14771729
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine
SMILESCc1cc(N)ccc1/N=C(\N)Nc1cccc(O)c1
InChIInChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)
InChIKeyHHJKYDLKRGBEDC-UHFFFAOYSA-N
XLogP2.34
TPSA96.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

m-(o-Toluidino)phenol
CID 80436
3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenol
CID 16073784
1-(3-Hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride
CID 14771708
N-(3-Hydroxy-phenyl)-N''-(2-methyl-4-nitro-phenyl)-guanidine
CID 14771728
3-[(2-Amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenol
CID 145990659
1-(3-Hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine
CID 118721784
1-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-(3-hydroxyphenyl)urea
CID 178296758
m-(m-Toluidino)phenol
CID 3020312
1-(5-Hydroxy-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 9995513
2-(4-Fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine
CID 23103870
N-(3-Hydroxy-phenyl)-N''-o-tolyl-guanidine; hydrochloride
CID 14771707
1-(3,5-Dimethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine
CID 75424536

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine?
The IUPAC name of 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine (CID 14771729) is 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine?
The canonical SMILES for 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine is Cc1cc(N)ccc1/N=C(\N)Nc1cccc(O)c1.
What is the InChIKey of 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine?
The InChIKey is HHJKYDLKRGBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18).
What are the key properties of 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine?
2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine has a molecular weight of 256.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)-1-(3-hydroxyphenyl)guanidine is sourced from PubChem (CID 14771729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).