4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride

C11H15ClN2O — CID 171196824

IUPAC4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride
SMILESC[C@@]1(Nc2ccc(C=O)cc2)CCN1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-11(6-7-12-11)13-10-4-2-9(8-14)3-5-10;/h2-5,8,12-13H,6-7H2,1H3;1H/t11-;/m1./s1
InChIKeyXGRXFYFCNWVWNT-RFVHGSKJSA-N
MW226.71 g/mol
LogP2.04
Rot. Bonds3

About 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride

4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride (PubChem CID 171196824) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride.

Molecular Properties

Compound Name4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride
PubChem CID171196824
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride
SMILESC[C@@]1(Nc2ccc(C=O)cc2)CCN1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-11(6-7-12-11)13-10-4-2-9(8-14)3-5-10;/h2-5,8,12-13H,6-7H2,1H3;1H/t11-;/m1./s1
InChIKeyXGRXFYFCNWVWNT-RFVHGSKJSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride
CID 171195077
4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride
CID 171192988
carbon monoxide;chromium;terephthalaldehyde
CID 11108406
ethane;4-(methylamino)benzaldehyde
CID 90757327
4-hydroxy-3-[(2S)-2-hydroxyazetidin-2-yl]benzaldehyde;hydrochloride
CID 171197417
N-(4-formylphenyl)formamide
CID 15314216
4-(3,3-dimethylpiperazin-1-yl)benzaldehyde
CID 145019779
4-(cyclopropylamino)benzaldehyde
CID 83815728
4-[1-(dimethylamino)cyclopropyl]benzaldehyde
CID 115017883
1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6-carbaldehyde
CID 154180598
benzene;terephthalaldehyde
CID 163498156
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride?
The IUPAC name of 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride (CID 171196824) is 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride.
What is the SMILES notation for 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride?
The canonical SMILES for 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride is C[C@@]1(Nc2ccc(C=O)cc2)CCN1.Cl.
What is the InChIKey of 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride?
The InChIKey is XGRXFYFCNWVWNT-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-11(6-7-12-11)13-10-4-2-9(8-14)3-5-10;/h2-5,8,12-13H,6-7H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride?
4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-methylazetidin-2-yl]amino]benzaldehyde;hydrochloride is sourced from PubChem (CID 171196824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).