N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide

C11H16N2O — CID 126487884

IUPACN'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide
SMILESC/C(N)=N\C[C@H](O)c1cccc(C)c1
InChIInChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)11(14)7-13-9(2)12/h3-6,11,14H,7H2,1-2H3,(H2,12,13)/t11-/m0/s1
InChIKeyMRNHTCQDOBCKMN-NSHDSACASA-N
MW192.26 g/mol
LogP1.41
Rot. Bonds3

About N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide

N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide (PubChem CID 126487884) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide
PubChem CID126487884
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide
SMILESC/C(N)=N\C[C@H](O)c1cccc(C)c1
InChIInChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)11(14)7-13-9(2)12/h3-6,11,14H,7H2,1-2H3,(H2,12,13)/t11-/m0/s1
InChIKeyMRNHTCQDOBCKMN-NSHDSACASA-N
XLogP1.41
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.41
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'}

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Related Compounds

1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
CID 110031689
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(3-methylphenyl)decan-1-ol
CID 63411280
N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
CID 130666162

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide?
The IUPAC name of N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide (CID 126487884) is N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide.
What is the SMILES notation for N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide?
The canonical SMILES for N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide is C/C(N)=N\C[C@H](O)c1cccc(C)c1.
What is the InChIKey of N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide?
The InChIKey is MRNHTCQDOBCKMN-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)11(14)7-13-9(2)12/h3-6,11,14H,7H2,1-2H3,(H2,12,13)/t11-/m0/s1.
What are the key properties of N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide?
N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide has a molecular weight of 192.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide is sourced from PubChem (CID 126487884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).