2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine

C15H25N3O — CID 10825467

IUPAC2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=N[C@@H](CO)c1ccccc1)NC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)16-15(17-12(3)4)18-14(10-19)13-8-6-5-7-9-13/h5-9,11-12,14,19H,10H2,1-4H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyOKYMWKMRFJCZDY-AWEZNQCLSA-N
MW263.38 g/mol
LogP2.07
Rot. Bonds5

About 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine

2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine (PubChem CID 10825467) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine
PubChem CID10825467
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=N[C@@H](CO)c1ccccc1)NC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)16-15(17-12(3)4)18-14(10-19)13-8-6-5-7-9-13/h5-9,11-12,14,19H,10H2,1-4H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyOKYMWKMRFJCZDY-AWEZNQCLSA-N
XLogP2.07
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.07
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

1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
CID 63189528
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
2-(3-phenylbutan-2-ylamino)propane-1,3-diol
CID 115724145
1,2,3-tris[(1S)-1-phenylethyl]guanidine
CID 101384426
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-phenyl-2,3-di(propan-2-yl)guanidine
CID 11226187
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine
CID 10811065
3,3-diphenyl-2-(propan-2-ylamino)propan-1-ol
CID 107292892
2-(benzhydrylamino)propan-1-ol
CID 43499566
1,2,3-tri(propan-2-yl)guanidine
CID 547015
4-(1-phenylethylimino)pentan-2-one
CID 56976163

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine?
The IUPAC name of 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine (CID 10825467) is 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine?
The canonical SMILES for 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine is CC(C)NC(=N[C@@H](CO)c1ccccc1)NC(C)C.
What is the InChIKey of 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine?
The InChIKey is OKYMWKMRFJCZDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)16-15(17-12(3)4)18-14(10-19)13-8-6-5-7-9-13/h5-9,11-12,14,19H,10H2,1-4H3,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine?
2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 10825467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).