2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium

C11H20N2O+2 — CID 7324401

IUPAC2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium
SMILESC[NH+](C)CC[NH2+]Cc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-13(2)8-7-12-9-10-5-3-4-6-11(10)14/h3-6,12,14H,7-9H2,1-2H3/p+2
InChIKeyMKJWJYZYPVDSKG-UHFFFAOYSA-P
MW196.29 g/mol
LogP-1.40
Rot. Bonds5

About 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium

2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium (PubChem CID 7324401) has the molecular formula C11H20N2O+2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium
PubChem CID7324401
Molecular FormulaC11H20N2O+2
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium
SMILESC[NH+](C)CC[NH2+]Cc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-13(2)8-7-12-9-10-5-3-4-6-11(10)14/h3-6,12,14H,7-9H2,1-2H3/p+2
InChIKeyMKJWJYZYPVDSKG-UHFFFAOYSA-P
XLogP-1.40
TPSA41.28 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxyphenyl)methyl-methylazanium
CID 36689670
benzene;2-ethylphenol
CID 159726745
ethyl-[(2-hydroxyphenyl)methyl]mercury
CID 175504373
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
CID 175749710
CID 175749710
magnesium;2-ethylphenol;chloride
CID 173391731
(2-hydroxyphenyl)methyl-[[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]azanium
CID 7375754
2-dodecylphenol
CID 160834917
(2-hydroxyphenyl)methylazanium
CID 6930904
CID 147052016
CID 147052016
CID 137424646
CID 137424646
2-(hydroxymethyl)phenol;methane
CID 157439231

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium?
The IUPAC name of 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium (CID 7324401) is 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium is C[NH+](C)CC[NH2+]Cc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium?
The InChIKey is MKJWJYZYPVDSKG-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H18N2O/c1-13(2)8-7-12-9-10-5-3-4-6-11(10)14/h3-6,12,14H,7-9H2,1-2H3/p+2.
What are the key properties of 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium?
2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium has a molecular weight of 196.29 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium is sourced from PubChem (CID 7324401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).