2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol

C14H21NO — CID 91488562

IUPAC2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol
SMILES[H]/N=C/Cc1ccc(C(C)C)cc1C(C)(C)O
InChIInChI=1S/C14H21NO/c1-10(2)12-6-5-11(7-8-15)13(9-12)14(3,4)16/h5-6,8-10,15-16H,7H2,1-4H3/b15-8+
InChIKeyXXHBQANROIGHDX-OVCLIPMQSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol

2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol (PubChem CID 91488562) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol
PubChem CID91488562
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol
SMILES[H]/N=C/Cc1ccc(C(C)C)cc1C(C)(C)O
InChIInChI=1S/C14H21NO/c1-10(2)12-6-5-11(7-8-15)13(9-12)14(3,4)16/h5-6,8-10,15-16H,7H2,1-4H3/b15-8+
InChIKeyXXHBQANROIGHDX-OVCLIPMQSA-N
XLogP3.23
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
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 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol?
The IUPAC name of 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol (CID 91488562) is 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol?
The canonical SMILES for 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol is [H]/N=C/Cc1ccc(C(C)C)cc1C(C)(C)O.
What is the InChIKey of 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol?
The InChIKey is XXHBQANROIGHDX-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)12-6-5-11(7-8-15)13(9-12)14(3,4)16/h5-6,8-10,15-16H,7H2,1-4H3/b15-8+.
What are the key properties of 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol?
2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iminoethyl)-5-propan-2-ylphenyl]propan-2-ol is sourced from PubChem (CID 91488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).