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

C14H12ClNO2 — CID 22685923

IUPACN-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C14H12ClNO2/c15-13-5-1-4-12(7-13)10-18-14-6-2-3-11(8-14)9-16-17/h1-9,17H,10H2
InChIKeyKUIDEYYBYTXDED-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.73
Rot. Bonds4

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

N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22685923) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID22685923
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC NameN-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C14H12ClNO2/c15-13-5-1-4-12(7-13)10-18-14-6-2-3-11(8-14)9-16-17/h1-9,17H,10H2
InChIKeyKUIDEYYBYTXDED-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

(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
1-[[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 4164336
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
(NZ)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 29021936
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 8930334

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 22685923) is N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is ON=Cc1cccc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is KUIDEYYBYTXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-13-5-1-4-12(7-13)10-18-14-6-2-3-11(8-14)9-16-17/h1-9,17H,10H2.
What are the key properties of N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[3-[(3-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-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22685923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).