(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide

C10H14N2O — CID 100829661

IUPAC(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide
SMILESCc1ccccc1[C@H](C)/C(N)=N/O
InChIInChI=1S/C10H14N2O/c1-7-5-3-4-6-9(7)8(2)10(11)12-13/h3-6,8,13H,1-2H3,(H2,11,12)/t8-/m0/s1
InChIKeyIJEIWWDXZPUDFJ-QMMMGPOBSA-N
MW178.24 g/mol
LogP1.84
Rot. Bonds2

About (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide

(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide (PubChem CID 100829661) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide
PubChem CID100829661
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide
SMILESCc1ccccc1[C@H](C)/C(N)=N/O
InChIInChI=1S/C10H14N2O/c1-7-5-3-4-6-9(7)8(2)10(11)12-13/h3-6,8,13H,1-2H3,(H2,11,12)/t8-/m0/s1
InChIKeyIJEIWWDXZPUDFJ-QMMMGPOBSA-N
XLogP1.84
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide
CID 63177928
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
2-hydroxy-4-(2-methylphenyl)pentan-3-one
CID 66769752
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81397433

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide?
The IUPAC name of (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide (CID 100829661) is (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide?
The canonical SMILES for (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide is Cc1ccccc1[C@H](C)/C(N)=N/O.
What is the InChIKey of (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide?
The InChIKey is IJEIWWDXZPUDFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-5-3-4-6-9(7)8(2)10(11)12-13/h3-6,8,13H,1-2H3,(H2,11,12)/t8-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide?
(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide has a molecular weight of 178.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide is sourced from PubChem (CID 100829661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).