N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine

C15H15NO2 — CID 142649594

IUPACN-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESCC(Cc1cccc(Oc2ccccc2)c1)=NO
InChIInChI=1S/C15H15NO2/c1-12(16-17)10-13-6-5-9-15(11-13)18-14-7-3-2-4-8-14/h2-9,11,17H,10H2,1H3
InChIKeyKRSQKLDVDIKFCA-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine

N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 142649594) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
PubChem CID142649594
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESCC(Cc1cccc(Oc2ccccc2)c1)=NO
InChIInChI=1S/C15H15NO2/c1-12(16-17)10-13-6-5-9-15(11-13)18-14-7-3-2-4-8-14/h2-9,11,17H,10H2,1H3
InChIKeyKRSQKLDVDIKFCA-UHFFFAOYSA-N
XLogP3.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.87
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

2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
CID 174876749
CID 174876749
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904
(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
CID 15668083

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine (CID 142649594) is N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine is CC(Cc1cccc(Oc2ccccc2)c1)=NO.
What is the InChIKey of N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is KRSQKLDVDIKFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12(16-17)10-13-6-5-9-15(11-13)18-14-7-3-2-4-8-14/h2-9,11,17H,10H2,1H3.
What are the key properties of N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine?
N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 241.29 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 142649594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).