1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine

C14H20ClNO — CID 89029775

IUPAC1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine
SMILESCC/N=C(\C)c1cc(Cl)c(OC)cc1C(C)C
InChIInChI=1S/C14H20ClNO/c1-6-16-10(4)12-7-13(15)14(17-5)8-11(12)9(2)3/h7-9H,6H2,1-5H3/b16-10+
InChIKeyHPTHRAIEUWDSKU-MHWRWJLKSA-N
MW253.77 g/mol
LogP4.30
Rot. Bonds4

About 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine

1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine (PubChem CID 89029775) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine.

Molecular Properties

Compound Name1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine
PubChem CID89029775
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine
SMILESCC/N=C(\C)c1cc(Cl)c(OC)cc1C(C)C
InChIInChI=1S/C14H20ClNO/c1-6-16-10(4)12-7-13(15)14(17-5)8-11(12)9(2)3/h7-9H,6H2,1-5H3/b16-10+
InChIKeyHPTHRAIEUWDSKU-MHWRWJLKSA-N
XLogP4.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine?
The IUPAC name of 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine (CID 89029775) is 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine.
What is the SMILES notation for 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine?
The canonical SMILES for 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine is CC/N=C(\C)c1cc(Cl)c(OC)cc1C(C)C.
What is the InChIKey of 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine?
The InChIKey is HPTHRAIEUWDSKU-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-6-16-10(4)12-7-13(15)14(17-5)8-11(12)9(2)3/h7-9H,6H2,1-5H3/b16-10+.
What are the key properties of 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine?
1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine has a molecular weight of 253.77 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-N-ethylethanimine is sourced from PubChem (CID 89029775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).