methyl 3-(2-propan-2-ylphenoxy)propanimidate

C13H19NO2 — CID 95444501

IUPACmethyl 3-(2-propan-2-ylphenoxy)propanimidate
SMILES[H]/N=C(/CCOc1ccccc1C(C)C)OC
InChIInChI=1S/C13H19NO2/c1-10(2)11-6-4-5-7-12(11)16-9-8-13(14)15-3/h4-7,10,14H,8-9H2,1-3H3/b14-13-
InChIKeyHCWOKXHNGCCPDB-YPKPFQOOSA-N
MW221.30 g/mol
LogP3.20
Rot. Bonds5

About methyl 3-(2-propan-2-ylphenoxy)propanimidate

methyl 3-(2-propan-2-ylphenoxy)propanimidate (PubChem CID 95444501) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 3-(2-propan-2-ylphenoxy)propanimidate.

Molecular Properties

Compound Namemethyl 3-(2-propan-2-ylphenoxy)propanimidate
PubChem CID95444501
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 3-(2-propan-2-ylphenoxy)propanimidate
SMILES[H]/N=C(/CCOc1ccccc1C(C)C)OC
InChIInChI=1S/C13H19NO2/c1-10(2)11-6-4-5-7-12(11)16-9-8-13(14)15-3/h4-7,10,14H,8-9H2,1-3H3/b14-13-
InChIKeyHCWOKXHNGCCPDB-YPKPFQOOSA-N
XLogP3.20
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(2-propan-2-ylphenoxy)propanimidamide
CID 24706101
4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
1-octoxy-2-propan-2-ylbenzene
CID 64765685
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-propan-2-ylphenoxy)propanimidate?
The IUPAC name of methyl 3-(2-propan-2-ylphenoxy)propanimidate (CID 95444501) is methyl 3-(2-propan-2-ylphenoxy)propanimidate.
What is the SMILES notation for methyl 3-(2-propan-2-ylphenoxy)propanimidate?
The canonical SMILES for methyl 3-(2-propan-2-ylphenoxy)propanimidate is [H]/N=C(/CCOc1ccccc1C(C)C)OC.
What is the InChIKey of methyl 3-(2-propan-2-ylphenoxy)propanimidate?
The InChIKey is HCWOKXHNGCCPDB-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)11-6-4-5-7-12(11)16-9-8-13(14)15-3/h4-7,10,14H,8-9H2,1-3H3/b14-13-.
What are the key properties of methyl 3-(2-propan-2-ylphenoxy)propanimidate?
methyl 3-(2-propan-2-ylphenoxy)propanimidate has a molecular weight of 221.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-propan-2-ylphenoxy)propanimidate is sourced from PubChem (CID 95444501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).