4-[[hydroxy(methoxy)methyl]amino]benzaldehyde

C9H11NO3 — CID 145005218

IUPAC4-[[hydroxy(methoxy)methyl]amino]benzaldehyde
SMILESCOC(O)Nc1ccc(C=O)cc1
InChIInChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-7(6-11)3-5-8/h2-6,9-10,12H,1H3
InChIKeyFSXMSTKLURAHNY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.83
Rot. Bonds4

About 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde

4-[[hydroxy(methoxy)methyl]amino]benzaldehyde (PubChem CID 145005218) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name4-[[hydroxy(methoxy)methyl]amino]benzaldehyde
PubChem CID145005218
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-[[hydroxy(methoxy)methyl]amino]benzaldehyde
SMILESCOC(O)Nc1ccc(C=O)cc1
InChIInChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-7(6-11)3-5-8/h2-6,9-10,12H,1H3
InChIKeyFSXMSTKLURAHNY-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
4-Acetamidobenzaldehyde
CID 73942
2-(Methylamino)benzaldehyde
CID 267569
4-(Dipropylamino)benzaldehyde
CID 69171
4-(Formamido)acetophenone
CID 4570782
4-acetamido-N-(3-methoxypropyl)benzamide
CID 2096192
Butyl [4-(aminocarbonyl)phenyl]carbamate
CID 1562688
4-Methylaminobenzohydroxamic acid
CID 22958841
4-(Methylamino)benzamide
CID 12994191
Benzenaminium, 4-formyl-N,N,N-trimethyl-, iodide (1:1)
CID 24172
4-(N,N-Bis(2-hydroxyethyl)amino)benzaldehyde
CID 12824965

Frequently Asked Questions

What is the IUPAC name of 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde?
The IUPAC name of 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde (CID 145005218) is 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde.
What is the SMILES notation for 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde?
The canonical SMILES for 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde is COC(O)Nc1ccc(C=O)cc1.
What is the InChIKey of 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde?
The InChIKey is FSXMSTKLURAHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-7(6-11)3-5-8/h2-6,9-10,12H,1H3.
What are the key properties of 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde?
4-[[hydroxy(methoxy)methyl]amino]benzaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hydroxy(methoxy)methyl]amino]benzaldehyde is sourced from PubChem (CID 145005218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).