(Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine

C12H17NO — CID 134896870

IUPAC(Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine
SMILESCC(C)/C=N\OC(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)9-13-14-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b13-9-
InChIKeyBOMBQDVDXGTHBB-LCYFTJDESA-N
MW191.27 g/mol
LogP3.41
Rot. Bonds4

About (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine

(Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine (PubChem CID 134896870) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine
PubChem CID134896870
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine
SMILESCC(C)/C=N\OC(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)9-13-14-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b13-9-
InChIKeyBOMBQDVDXGTHBB-LCYFTJDESA-N
XLogP3.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-Propanone, O-(phenylmethyl)oxime
CID 18803
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
N-phenylmethoxymethanimine
CID 561610
O-benzylbenzaldoxime
CID 561973
4-Benzyl-4,5-dihydroisoxazole
CID 562962
5-Phenylisoxazoline
CID 568817
3-Isopropyl-5-phenylisoxazoline
CID 5326289
Pentanal O-benzyloxime
CID 9602269

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine?
The IUPAC name of (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine (CID 134896870) is (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine?
The canonical SMILES for (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine is CC(C)/C=N\OC(C)c1ccccc1.
What is the InChIKey of (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine?
The InChIKey is BOMBQDVDXGTHBB-LCYFTJDESA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)9-13-14-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b13-9-.
What are the key properties of (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine?
(Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine is sourced from PubChem (CID 134896870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).