3-[amino(methyl)amino]-2-hydroxybenzaldehyde

C8H10N2O2 — CID 143076774

IUPAC3-[amino(methyl)amino]-2-hydroxybenzaldehyde
SMILESCN(N)c1cccc(C=O)c1O
InChIInChI=1S/C8H10N2O2/c1-10(9)7-4-2-3-6(5-11)8(7)12/h2-5,12H,9H2,1H3
InChIKeyHNLNUIYHFBFVMQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.51
Rot. Bonds2

About 3-[amino(methyl)amino]-2-hydroxybenzaldehyde

3-[amino(methyl)amino]-2-hydroxybenzaldehyde (PubChem CID 143076774) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-[amino(methyl)amino]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-[amino(methyl)amino]-2-hydroxybenzaldehyde
PubChem CID143076774
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-[amino(methyl)amino]-2-hydroxybenzaldehyde
SMILESCN(N)c1cccc(C=O)c1O
InChIInChI=1S/C8H10N2O2/c1-10(9)7-4-2-3-6(5-11)8(7)12/h2-5,12H,9H2,1H3
InChIKeyHNLNUIYHFBFVMQ-UHFFFAOYSA-N
XLogP0.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane
CID 144751242
2,3-dihydroxybenzaldehyde
CID 159243971
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
N-(2-formylphenyl)-N-hydroxyacetamide
CID 130024852
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-hydroxy-3-(4-methylphenyl)benzaldehyde
CID 22507827
N-amino-N-methylformamide;1-(2-ethyl-3-methylphenyl)-1-methylhydrazine
CID 144780729
ethene;2-hydroxybenzaldehyde
CID 23043417

Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]-2-hydroxybenzaldehyde?
The IUPAC name of 3-[amino(methyl)amino]-2-hydroxybenzaldehyde (CID 143076774) is 3-[amino(methyl)amino]-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-[amino(methyl)amino]-2-hydroxybenzaldehyde?
The canonical SMILES for 3-[amino(methyl)amino]-2-hydroxybenzaldehyde is CN(N)c1cccc(C=O)c1O.
What is the InChIKey of 3-[amino(methyl)amino]-2-hydroxybenzaldehyde?
The InChIKey is HNLNUIYHFBFVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10(9)7-4-2-3-6(5-11)8(7)12/h2-5,12H,9H2,1H3.
What are the key properties of 3-[amino(methyl)amino]-2-hydroxybenzaldehyde?
3-[amino(methyl)amino]-2-hydroxybenzaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]-2-hydroxybenzaldehyde is sourced from PubChem (CID 143076774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).