(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine

C13H18ClNO2 — CID 42184829

IUPAC(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCOc1ccc(Cl)cc1/C=N/O
InChIInChI=1S/C13H18ClNO2/c1-2-3-4-5-8-17-13-7-6-12(14)9-11(13)10-15-16/h6-7,9-10,16H,2-5,8H2,1H3/b15-10+
InChIKeyYYMLMMSHUSIQLN-XNTDXEJSSA-N
MW255.75 g/mol
LogP4.11
Rot. Bonds7

About (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine (PubChem CID 42184829) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
PubChem CID42184829
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCOc1ccc(Cl)cc1/C=N/O
InChIInChI=1S/C13H18ClNO2/c1-2-3-4-5-8-17-13-7-6-12(14)9-11(13)10-15-16/h6-7,9-10,16H,2-5,8H2,1H3/b15-10+
InChIKeyYYMLMMSHUSIQLN-XNTDXEJSSA-N
XLogP4.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine (CID 42184829) is (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine is CCCCCCOc1ccc(Cl)cc1/C=N/O.
What is the InChIKey of (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine?
The InChIKey is YYMLMMSHUSIQLN-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-2-3-4-5-8-17-13-7-6-12(14)9-11(13)10-15-16/h6-7,9-10,16H,2-5,8H2,1H3/b15-10+.
What are the key properties of (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine has a molecular weight of 255.75 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 42184829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).