4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide

C11H17N3O — CID 60980240

IUPAC4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CCO)cc1
InChIInChI=1S/C11H17N3O/c1-2-14(7-8-15)10-5-3-9(4-6-10)11(12)13/h3-6,15H,2,7-8H2,1H3,(H3,12,13)
InChIKeyUVBNVPKFOBYONP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.79
Rot. Bonds5

About 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide

4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide (PubChem CID 60980240) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
PubChem CID60980240
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CCO)cc1
InChIInChI=1S/C11H17N3O/c1-2-14(7-8-15)10-5-3-9(4-6-10)11(12)13/h3-6,15H,2,7-8H2,1H3,(H3,12,13)
InChIKeyUVBNVPKFOBYONP-UHFFFAOYSA-N
XLogP0.79
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 61446127
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
CID 22734616

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide (CID 60980240) is 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC)CCO)cc1.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide?
The InChIKey is UVBNVPKFOBYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14(7-8-15)10-5-3-9(4-6-10)11(12)13/h3-6,15H,2,7-8H2,1H3,(H3,12,13).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide?
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide has a molecular weight of 207.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 60980240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).