1-(2-hydroxy-1-phenylethyl)-2-methylguanidine

C10H15N3O — CID 63189659

IUPAC1-(2-hydroxy-1-phenylethyl)-2-methylguanidine
SMILESC/N=C(\N)NC(CO)c1ccccc1
InChIInChI=1S/C10H15N3O/c1-12-10(11)13-9(7-14)8-5-3-2-4-6-8/h2-6,9,14H,7H2,1H3,(H3,11,12,13)
InChIKeyOXCUVVIKEUEBGH-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.25
Rot. Bonds3

About 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine

1-(2-hydroxy-1-phenylethyl)-2-methylguanidine (PubChem CID 63189659) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-2-methylguanidine
PubChem CID63189659
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(2-hydroxy-1-phenylethyl)-2-methylguanidine
SMILESC/N=C(\N)NC(CO)c1ccccc1
InChIInChI=1S/C10H15N3O/c1-12-10(11)13-9(7-14)8-5-3-2-4-6-8/h2-6,9,14H,7H2,1H3,(H3,11,12,13)
InChIKeyOXCUVVIKEUEBGH-UHFFFAOYSA-N
XLogP0.25
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(1S)-1-phenylpropyl]guanidine
CID 131145311
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
2-(hydroxyamino)-2-phenylethanol
CID 12782000
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
CID 63182493
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
CID 79812629

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine (CID 63189659) is 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine is C/N=C(\N)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine?
The InChIKey is OXCUVVIKEUEBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-10(11)13-9(7-14)8-5-3-2-4-6-8/h2-6,9,14H,7H2,1H3,(H3,11,12,13).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine?
1-(2-hydroxy-1-phenylethyl)-2-methylguanidine has a molecular weight of 193.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-2-methylguanidine is sourced from PubChem (CID 63189659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).