N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine

C18H21NO2 — CID 76999556

IUPACN-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO2/c1-4-18(19-20)15-7-9-17(10-8-15)21-12-16-11-13(2)5-6-14(16)3/h5-11,20H,4,12H2,1-3H3
InChIKeyAJMXFAADFMHWKK-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.47
Rot. Bonds5

About N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine

N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine (PubChem CID 76999556) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
PubChem CID76999556
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO2/c1-4-18(19-20)15-7-9-17(10-8-15)21-12-16-11-13(2)5-6-14(16)3/h5-11,20H,4,12H2,1-3H3
InChIKeyAJMXFAADFMHWKK-UHFFFAOYSA-N
XLogP4.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.47
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-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
CID 61481990
[4-[(2,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 61481951
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
2-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185658
1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone
CID 83953133
(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118
(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 82916047
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
CID 83953119
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde
CID 91241633

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine (CID 76999556) is N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine is CCC(=NO)c1ccc(OCc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is AJMXFAADFMHWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-18(19-20)15-7-9-17(10-8-15)21-12-16-11-13(2)5-6-14(16)3/h5-11,20H,4,12H2,1-3H3.
What are the key properties of N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine?
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 283.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 76999556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).