(2E)-2-phenoxyiminopropan-1-amine

C9H12N2O — CID 58684229

IUPAC(2E)-2-phenoxyiminopropan-1-amine
SMILESC/C(CN)=N\Oc1ccccc1
InChIInChI=1S/C9H12N2O/c1-8(7-10)11-12-9-5-3-2-4-6-9/h2-6H,7,10H2,1H3/b11-8+
InChIKeyIXERQJZLCJLMNU-DHZHZOJOSA-N
MW164.21 g/mol
LogP1.40
Rot. Bonds3

About (2E)-2-phenoxyiminopropan-1-amine

(2E)-2-phenoxyiminopropan-1-amine (PubChem CID 58684229) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (2E)-2-phenoxyiminopropan-1-amine.

Molecular Properties

Compound Name(2E)-2-phenoxyiminopropan-1-amine
PubChem CID58684229
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(2E)-2-phenoxyiminopropan-1-amine
SMILESC/C(CN)=N\Oc1ccccc1
InChIInChI=1S/C9H12N2O/c1-8(7-10)11-12-9-5-3-2-4-6-9/h2-6H,7,10H2,1H3/b11-8+
InChIKeyIXERQJZLCJLMNU-DHZHZOJOSA-N
XLogP1.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline
CID 24950153
(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine
CID 177429054
(E)-N-phenoxy-1,2-diphenylethanimine
CID 102323138
(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine
CID 58684477
1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone
CID 139928929
anisole;guanidine
CID 172735542
phenyl N-(2-aminoacetyl)carbamate
CID 20596874
(E)-N-(4-nitrophenoxy)butan-2-imine
CID 11333252
acetic acid;phenyl 2-phenylethaneperoxoate
CID 87374705
phenylperoxymethanamine
CID 163956445
2-phenoxyethyl 2-aminoacetate
CID 61302270

Frequently Asked Questions

What is the IUPAC name of (2E)-2-phenoxyiminopropan-1-amine?
The IUPAC name of (2E)-2-phenoxyiminopropan-1-amine (CID 58684229) is (2E)-2-phenoxyiminopropan-1-amine.
What is the SMILES notation for (2E)-2-phenoxyiminopropan-1-amine?
The canonical SMILES for (2E)-2-phenoxyiminopropan-1-amine is C/C(CN)=N\Oc1ccccc1.
What is the InChIKey of (2E)-2-phenoxyiminopropan-1-amine?
The InChIKey is IXERQJZLCJLMNU-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(7-10)11-12-9-5-3-2-4-6-9/h2-6H,7,10H2,1H3/b11-8+.
What are the key properties of (2E)-2-phenoxyiminopropan-1-amine?
(2E)-2-phenoxyiminopropan-1-amine has a molecular weight of 164.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-phenoxyiminopropan-1-amine is sourced from PubChem (CID 58684229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).