[4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium

C11H18N3O3+ — CID 66600248

IUPAC[4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium
SMILES[NH2+]=Nc1ccc(N(CCO)CCO)cc1CO
InChIInChI=1S/C11H17N3O3/c12-13-11-2-1-10(7-9(11)8-17)14(3-5-15)4-6-16/h1-2,7,12,15-17H,3-6,8H2/p+1
InChIKeyFQPYESHKJYNGGF-UHFFFAOYSA-O
MW240.28 g/mol
LogP-1.19
Rot. Bonds7

About [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium

[4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium (PubChem CID 66600248) has the molecular formula C11H18N3O3+ and a molecular weight of 240.28 g/mol. Its IUPAC name is [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium.

Molecular Properties

Compound Name[4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium
PubChem CID66600248
Molecular FormulaC11H18N3O3+
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium
SMILES[NH2+]=Nc1ccc(N(CCO)CCO)cc1CO
InChIInChI=1S/C11H17N3O3/c12-13-11-2-1-10(7-9(11)8-17)14(3-5-15)4-6-16/h1-2,7,12,15-17H,3-6,8H2/p+1
InChIKeyFQPYESHKJYNGGF-UHFFFAOYSA-O
XLogP-1.19
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-(Morpholin-4-yl)phenyl]methanol
CID 2776562
(2-(4-Methylpiperazin-1-yl)phenyl)methanol
CID 2795567
m-(Dimethylamino)benzyl alcohol
CID 90133
(2-(Pyrrolidin-1-yl)phenyl)methanol
CID 13021765
(2-(Diethylamino)phenyl)methanol
CID 13021763
Benzenemethanol, 2-(dimethylamino)-
CID 138325
(3-Morpholinophenyl)methanol
CID 7162074
(2-Morpholino-5-nitrophenyl)methanol
CID 2727950
[3-(Diethylamino)phenyl]methanol
CID 19434267
(5-Amino-2-(4-methylpiperazin-1-yl)phenyl)methanol
CID 36995517
[2-(4-Ethylpiperazin-1-yl)phenyl]methanol
CID 40428576
3'-Hydroxymethyl-N,N-dimethyl-4-aminoazobenzene
CID 37102

Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium?
The IUPAC name of [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium (CID 66600248) is [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium.
What is the SMILES notation for [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium?
The canonical SMILES for [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium is [NH2+]=Nc1ccc(N(CCO)CCO)cc1CO.
What is the InChIKey of [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium?
The InChIKey is FQPYESHKJYNGGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N3O3/c12-13-11-2-1-10(7-9(11)8-17)14(3-5-15)4-6-16/h1-2,7,12,15-17H,3-6,8H2/p+1.
What are the key properties of [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium?
[4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium has a molecular weight of 240.28 g/mol, XLogP of -1.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium is sourced from PubChem (CID 66600248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).