N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H12ClNO2 — CID 20987989

IUPACN-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C14H12ClNO2/c15-14-7-2-1-5-12(14)10-18-13-6-3-4-11(8-13)9-16-17/h1-9,17H,10H2
InChIKeyBSSRYGWMEGVCFK-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.73
Rot. Bonds4

About N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20987989) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID20987989
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C14H12ClNO2/c15-14-7-2-1-5-12(14)10-18-13-6-3-4-11(8-13)9-16-17/h1-9,17H,10H2
InChIKeyBSSRYGWMEGVCFK-UHFFFAOYSA-N
XLogP3.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.73
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-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 4164243
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3680304
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
(NZ)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 29021936
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 20987989) is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is ON=Cc1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is BSSRYGWMEGVCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-14-7-2-1-5-12(14)10-18-13-6-3-4-11(8-13)9-16-17/h1-9,17H,10H2.
What are the key properties of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 261.71 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20987989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).