N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine

C14H19NO2 — CID 139610678

IUPACN-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine
SMILESCCC(COCC1CO1)/N=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13(9-16-10-14-11-17-14)15-8-12-6-4-3-5-7-12/h3-8,13-14H,2,9-11H2,1H3/b15-8+
InChIKeyCBWFCQYRHXRYTF-OVCLIPMQSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds7

About N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine

N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine (PubChem CID 139610678) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine
PubChem CID139610678
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine
SMILESCCC(COCC1CO1)/N=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13(9-16-10-14-11-17-14)15-8-12-6-4-3-5-7-12/h3-8,13-14H,2,9-11H2,1H3/b15-8+
InChIKeyCBWFCQYRHXRYTF-OVCLIPMQSA-N
XLogP2.30
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine?
The IUPAC name of N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine (CID 139610678) is N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine?
The canonical SMILES for N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine is CCC(COCC1CO1)/N=C/c1ccccc1.
What is the InChIKey of N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine?
The InChIKey is CBWFCQYRHXRYTF-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-13(9-16-10-14-11-17-14)15-8-12-6-4-3-5-7-12/h3-8,13-14H,2,9-11H2,1H3/b15-8+.
What are the key properties of N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine?
N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine has a molecular weight of 233.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxiran-2-ylmethoxy)butan-2-yl]-1-phenylmethanimine is sourced from PubChem (CID 139610678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).