2-hydroxybenzaldehyde;methanamine

C10H21N3O2 — CID 174602056

IUPAC2-hydroxybenzaldehyde;methanamine
SMILESCN.CN.CN.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.3CH5N/c8-5-6-3-1-2-4-7(6)9;3*1-2/h1-5,9H;3*2H2,1H3
InChIKeyAOFOKNGAEGYZIR-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.07
Rot. Bonds1

About 2-hydroxybenzaldehyde;methanamine

2-hydroxybenzaldehyde;methanamine (PubChem CID 174602056) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;methanamine.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;methanamine
PubChem CID174602056
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-hydroxybenzaldehyde;methanamine
SMILESCN.CN.CN.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.3CH5N/c8-5-6-3-1-2-4-7(6)9;3*1-2/h1-5,9H;3*2H2,1H3
InChIKeyAOFOKNGAEGYZIR-UHFFFAOYSA-N
XLogP-0.07
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 158421076
CID 158421076
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
aniline;2-hydroxybenzaldehyde
CID 159847329
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552
2-hydroxybenzaldehyde;2-methoxyaniline
CID 174410348
bis(2-ethyl-2-(hydroxymethyl)propane-1,3-diol);2-hydroxybenzaldehyde
CID 175183399
2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine
CID 158083087

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;methanamine?
The IUPAC name of 2-hydroxybenzaldehyde;methanamine (CID 174602056) is 2-hydroxybenzaldehyde;methanamine.
What is the SMILES notation for 2-hydroxybenzaldehyde;methanamine?
The canonical SMILES for 2-hydroxybenzaldehyde;methanamine is CN.CN.CN.O=Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzaldehyde;methanamine?
The InChIKey is AOFOKNGAEGYZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.3CH5N/c8-5-6-3-1-2-4-7(6)9;3*1-2/h1-5,9H;3*2H2,1H3.
What are the key properties of 2-hydroxybenzaldehyde;methanamine?
2-hydroxybenzaldehyde;methanamine has a molecular weight of 215.30 g/mol, XLogP of -0.07, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;methanamine is sourced from PubChem (CID 174602056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).