N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine

C11H13ClN2O — CID 154024589

IUPACN-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine
SMILESON=Cc1c(Cl)cccc1CN1CCC1
InChIInChI=1S/C11H13ClN2O/c12-11-4-1-3-9(10(11)7-13-15)8-14-5-2-6-14/h1,3-4,7,15H,2,5-6,8H2
InChIKeyJZARWTXLIJJOKZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.35
Rot. Bonds3

About N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine

N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine (PubChem CID 154024589) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine
PubChem CID154024589
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine
SMILESON=Cc1c(Cl)cccc1CN1CCC1
InChIInChI=1S/C11H13ClN2O/c12-11-4-1-3-9(10(11)7-13-15)8-14-5-2-6-14/h1,3-4,7,15H,2,5-6,8H2
InChIKeyJZARWTXLIJJOKZ-UHFFFAOYSA-N
XLogP2.35
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine
CID 154334394
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
(E)-1-(2-chloro-6-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine;hydrochloride
CID 45045654
1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]pyrrolidine
CID 143603127
2-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 115903994
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
CID 78916446
[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 86923546
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine (CID 154024589) is N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine is ON=Cc1c(Cl)cccc1CN1CCC1.
What is the InChIKey of N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine?
The InChIKey is JZARWTXLIJJOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-11-4-1-3-9(10(11)7-13-15)8-14-5-2-6-14/h1,3-4,7,15H,2,5-6,8H2.
What are the key properties of N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine?
N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine has a molecular weight of 224.69 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 154024589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).