2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate

C10H14N2O2 — CID 177483315

IUPAC2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate
SMILESNC/C(=N\O)OCCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-8-10(12-13)14-7-6-9-4-2-1-3-5-9/h1-5,13H,6-8,11H2/b12-10+
InChIKeyFMXDTXIRIIAOFK-ZRDIBKRKSA-N
MW194.23 g/mol
LogP0.99
Rot. Bonds4

About 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate

2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate (PubChem CID 177483315) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate.

Molecular Properties

Compound Name2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate
PubChem CID177483315
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate
SMILESNC/C(=N\O)OCCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-8-10(12-13)14-7-6-9-4-2-1-3-5-9/h1-5,13H,6-8,11H2/b12-10+
InChIKeyFMXDTXIRIIAOFK-ZRDIBKRKSA-N
XLogP0.99
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate
CID 11110255
2-phenylethyl acetate
CID 7654
2-methoxyethylbenzene
CID 19089
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
CID 58731637
CID 58731637
2-phenylethyl 2-aminoprop-2-enoate
CID 19357551
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
2-phenylethyl 4-methoxybutanoate
CID 78885647
2-phenylethyl N-carbamoylcarbamate
CID 3027882

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate?
The IUPAC name of 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate (CID 177483315) is 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate.
What is the SMILES notation for 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate?
The canonical SMILES for 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate is NC/C(=N\O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate?
The InChIKey is FMXDTXIRIIAOFK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-8-10(12-13)14-7-6-9-4-2-1-3-5-9/h1-5,13H,6-8,11H2/b12-10+.
What are the key properties of 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate?
2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate has a molecular weight of 194.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate is sourced from PubChem (CID 177483315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).