N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine

C16H17N3O — CID 137193308

IUPACN-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine
SMILESCC(=NO)/C(C)=N/c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17N3O/c1-11(12(2)19-20)18-16-9-5-14(6-10-16)13-3-7-15(17)8-4-13/h3-10,20H,17H2,1-2H3/b18-11+,19-12?
InChIKeyOIZMCSPGCZGBAE-ZXHDCMKESA-N
MW267.33 g/mol
LogP3.88
Rot. Bonds3

About N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine

N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine (PubChem CID 137193308) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine
PubChem CID137193308
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine
SMILESCC(=NO)/C(C)=N/c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17N3O/c1-11(12(2)19-20)18-16-9-5-14(6-10-16)13-3-7-15(17)8-4-13/h3-10,20H,17H2,1-2H3/b18-11+,19-12?
InChIKeyOIZMCSPGCZGBAE-ZXHDCMKESA-N
XLogP3.88
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine (CID 137193308) is N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine is CC(=NO)/C(C)=N/c1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine?
The InChIKey is OIZMCSPGCZGBAE-ZXHDCMKESA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(12(2)19-20)18-16-9-5-14(6-10-16)13-3-7-15(17)8-4-13/h3-10,20H,17H2,1-2H3/b18-11+,19-12?.
What are the key properties of N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine?
N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine has a molecular weight of 267.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-aminophenyl)phenyl]iminobutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 137193308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).