(2-amino-6-hydroxyphenyl)methyl-dimethylazanium

C9H15N2O+ — CID 3990239

IUPAC(2-amino-6-hydroxyphenyl)methyl-dimethylazanium
SMILESC[NH+](C)Cc1c(N)cccc1O
InChIInChI=1S/C9H14N2O/c1-11(2)6-7-8(10)4-3-5-9(7)12/h3-5,12H,6,10H2,1-2H3/p+1
InChIKeyNRAASMVLNXWEEF-UHFFFAOYSA-O
MW167.23 g/mol
LogP-0.38
Rot. Bonds2

About (2-amino-6-hydroxyphenyl)methyl-dimethylazanium

(2-amino-6-hydroxyphenyl)methyl-dimethylazanium (PubChem CID 3990239) has the molecular formula C9H15N2O+ and a molecular weight of 167.23 g/mol. Its IUPAC name is (2-amino-6-hydroxyphenyl)methyl-dimethylazanium.

Molecular Properties

Compound Name(2-amino-6-hydroxyphenyl)methyl-dimethylazanium
PubChem CID3990239
Molecular FormulaC9H15N2O+
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC Name(2-amino-6-hydroxyphenyl)methyl-dimethylazanium
SMILESC[NH+](C)Cc1c(N)cccc1O
InChIInChI=1S/C9H14N2O/c1-11(2)6-7-8(10)4-3-5-9(7)12/h3-5,12H,6,10H2,1-2H3/p+1
InChIKeyNRAASMVLNXWEEF-UHFFFAOYSA-O
XLogP-0.38
TPSA50.69 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-azaniumyl-6-hydroxyphenyl)methyl-dimethylazanium
CID 4919485
3-amino-2-decylphenol
CID 70595254
2-aminophenol;ethane;methane
CID 158189798
3-amino-2-fluorophenol;ethane
CID 155586440
3-amino-2-[(pentylamino)methyl]phenol
CID 69382223
2-(aminomethyl)benzene-1,3-diamine
CID 18451650
3-amino-2-methylphenol;hydrate
CID 175262808
(2-benzyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium
CID 6943811
2-decylbenzene-1,3-diamine
CID 141061522
2-(aminomethyl)-3-ethylphenol
CID 21467751
2,3-diaminophenol;zinc
CID 90019674
2,3-diaminophenol;hydrochloride
CID 18381079

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-hydroxyphenyl)methyl-dimethylazanium?
The IUPAC name of (2-amino-6-hydroxyphenyl)methyl-dimethylazanium (CID 3990239) is (2-amino-6-hydroxyphenyl)methyl-dimethylazanium.
What is the SMILES notation for (2-amino-6-hydroxyphenyl)methyl-dimethylazanium?
The canonical SMILES for (2-amino-6-hydroxyphenyl)methyl-dimethylazanium is C[NH+](C)Cc1c(N)cccc1O.
What is the InChIKey of (2-amino-6-hydroxyphenyl)methyl-dimethylazanium?
The InChIKey is NRAASMVLNXWEEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2O/c1-11(2)6-7-8(10)4-3-5-9(7)12/h3-5,12H,6,10H2,1-2H3/p+1.
What are the key properties of (2-amino-6-hydroxyphenyl)methyl-dimethylazanium?
(2-amino-6-hydroxyphenyl)methyl-dimethylazanium has a molecular weight of 167.23 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-hydroxyphenyl)methyl-dimethylazanium is sourced from PubChem (CID 3990239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).