N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

C17H18ClNO4 — CID 22681745

IUPACN-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18ClNO4/c1-12-9-14(4-5-15(12)18)22-7-8-23-17-10-13(11-19-20)3-6-16(17)21-2/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyIVFDDFSVHVBHAN-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.92
Rot. Bonds7

About N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 22681745) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
PubChem CID22681745
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC NameN-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18ClNO4/c1-12-9-14(4-5-15(12)18)22-7-8-23-17-10-13(11-19-20)3-6-16(17)21-2/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyIVFDDFSVHVBHAN-UHFFFAOYSA-N
XLogP3.92
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20992695
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937
(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42337956
N-[[3-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22685000
N-[[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22684998
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
3-[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]propanoic acid
CID 22687920
N-[[3-methoxy-4-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680571
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9316746

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (CID 22681745) is N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is COc1ccc(C=NO)cc1OCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is IVFDDFSVHVBHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-12-9-14(4-5-15(12)18)22-7-8-23-17-10-13(11-19-20)3-6-16(17)21-2/h3-6,9-11,20H,7-8H2,1-2H3.
What are the key properties of N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 335.79 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22681745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).