(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride

C9H13ClN2O — CID 88690569

IUPAC(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
SMILESCl.NC/C(Cc1ccccc1)=N/O
InChIInChI=1S/C9H12N2O.ClH/c10-7-9(11-12)6-8-4-2-1-3-5-8;/h1-5,12H,6-7,10H2;1H/b11-9+;
InChIKeyUPIIZMMBXHEEAD-LBEJWNQZSA-N
MW200.67 g/mol
LogP1.44
Rot. Bonds3

About (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride

(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride (PubChem CID 88690569) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
PubChem CID88690569
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
SMILESCl.NC/C(Cc1ccccc1)=N/O
InChIInChI=1S/C9H12N2O.ClH/c10-7-9(11-12)6-8-4-2-1-3-5-8;/h1-5,12H,6-7,10H2;1H/b11-9+;
InChIKeyUPIIZMMBXHEEAD-LBEJWNQZSA-N
XLogP1.44
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.44
H-Bond Donors ≤ 52
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'-hydroxy-2-phenylethanimidamide
CID 6074309
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
(4E)-4-hydroxyimino-5-phenylpentanoic acid
CID 6341274
CID 174688914
CID 174688914
(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol
CID 5383436
phenylmethanamine
CID 19864074
2-benzylbuta-2,3-dien-1-amine;hydrochloride
CID 88786997
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride?
The IUPAC name of (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride (CID 88690569) is (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride.
What is the SMILES notation for (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride?
The canonical SMILES for (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride is Cl.NC/C(Cc1ccccc1)=N/O.
What is the InChIKey of (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride?
The InChIKey is UPIIZMMBXHEEAD-LBEJWNQZSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c10-7-9(11-12)6-8-4-2-1-3-5-8;/h1-5,12H,6-7,10H2;1H/b11-9+;.
What are the key properties of (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride?
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride is sourced from PubChem (CID 88690569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).