N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide

C10H14N2O — CID 131994303

IUPACN-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide
SMILESCCN/C(=N\C)c1cccc(O)c1
InChIInChI=1S/C10H14N2O/c1-3-12-10(11-2)8-5-4-6-9(13)7-8/h4-7,13H,3H2,1-2H3,(H,11,12)
InChIKeyDYVCSCNMBHCFCK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds2

About N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide

N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide (PubChem CID 131994303) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide
PubChem CID131994303
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide
SMILESCCN/C(=N\C)c1cccc(O)c1
InChIInChI=1S/C10H14N2O/c1-3-12-10(11-2)8-5-4-6-9(13)7-8/h4-7,13H,3H2,1-2H3,(H,11,12)
InChIKeyDYVCSCNMBHCFCK-UHFFFAOYSA-N
XLogP1.38
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.38
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

N-ethyl-3-hydroxybenzamide
CID 13175248
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 9413093
N-amino-3-ethyl-N'-methylbenzenecarboximidamide
CID 142873942
3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
CID 23766294
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
N-[3-[(N-ethyl-N'-propylcarbamimidoyl)amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111227376
3-(ethylamino)phenol
CID 578991
N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111150111
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642
3-hydroxy-N-octylbenzamide
CID 115568584
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide?
The IUPAC name of N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide (CID 131994303) is N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide is CCN/C(=N\C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide?
The InChIKey is DYVCSCNMBHCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-12-10(11-2)8-5-4-6-9(13)7-8/h4-7,13H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide?
N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide has a molecular weight of 178.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 131994303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).