1-phenylethyl methanimidate

C9H11NO — CID 20653459

IUPAC1-phenylethyl methanimidate
SMILES[H]/N=C/OC(C)c1ccccc1
InChIInChI=1S/C9H11NO/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8,10H,1H3/b10-7+
InChIKeyCOBKNMVRKIWMBT-JXMROGBWSA-N
MW149.19 g/mol
LogP2.37
Rot. Bonds3

About 1-phenylethyl methanimidate

1-phenylethyl methanimidate (PubChem CID 20653459) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-phenylethyl methanimidate.

Molecular Properties

Compound Name1-phenylethyl methanimidate
PubChem CID20653459
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-phenylethyl methanimidate
SMILES[H]/N=C/OC(C)c1ccccc1
InChIInChI=1S/C9H11NO/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8,10H,1H3/b10-7+
InChIKeyCOBKNMVRKIWMBT-JXMROGBWSA-N
XLogP2.37
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
Benzyl ethyl ether
CID 10873
alpha-Methylbenzyl formate
CID 346286
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
Allyl benzyl ether
CID 84542
2-Methyl-2-phenyloxirane
CID 16398
Benzene, (1-ethoxyethyl)-
CID 18693
Bis(1-phenylethyl) ether
CID 62342

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl methanimidate?
The IUPAC name of 1-phenylethyl methanimidate (CID 20653459) is 1-phenylethyl methanimidate.
What is the SMILES notation for 1-phenylethyl methanimidate?
The canonical SMILES for 1-phenylethyl methanimidate is [H]/N=C/OC(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl methanimidate?
The InChIKey is COBKNMVRKIWMBT-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8,10H,1H3/b10-7+.
What are the key properties of 1-phenylethyl methanimidate?
1-phenylethyl methanimidate has a molecular weight of 149.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl methanimidate is sourced from PubChem (CID 20653459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).