1-phenyl-N-propan-2-ylethanimine

C11H15N — CID 10351976

IUPAC1-phenyl-N-propan-2-ylethanimine
SMILESC/C(=N\C(C)C)c1ccccc1
InChIInChI=1S/C11H15N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-10+
InChIKeyAOXHWCPOATWTDN-ZRDIBKRKSA-N
MW161.25 g/mol
LogP2.90
Rot. Bonds2

About 1-phenyl-N-propan-2-ylethanimine

1-phenyl-N-propan-2-ylethanimine (PubChem CID 10351976) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-ylethanimine.

Molecular Properties

Compound Name1-phenyl-N-propan-2-ylethanimine
PubChem CID10351976
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-phenyl-N-propan-2-ylethanimine
SMILESC/C(=N\C(C)C)c1ccccc1
InChIInChI=1S/C11H15N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-10+
InChIKeyAOXHWCPOATWTDN-ZRDIBKRKSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenyl-N-propan-2-ylethanimine?
The IUPAC name of 1-phenyl-N-propan-2-ylethanimine (CID 10351976) is 1-phenyl-N-propan-2-ylethanimine.
What is the SMILES notation for 1-phenyl-N-propan-2-ylethanimine?
The canonical SMILES for 1-phenyl-N-propan-2-ylethanimine is C/C(=N\C(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-propan-2-ylethanimine?
The InChIKey is AOXHWCPOATWTDN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-10+.
What are the key properties of 1-phenyl-N-propan-2-ylethanimine?
1-phenyl-N-propan-2-ylethanimine has a molecular weight of 161.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-ylethanimine is sourced from PubChem (CID 10351976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).