N-[(1R)-1-phenylethyl]propan-1-imine

C11H15N — CID 10725667

IUPACN-[(1R)-1-phenylethyl]propan-1-imine
SMILESCC/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b12-9+/t10-/m1/s1
InChIKeyUHVWRYGIKJCQIN-QSARLWQPSA-N
MW161.25 g/mol
LogP3.23
Rot. Bonds3

About N-[(1R)-1-phenylethyl]propan-1-imine

N-[(1R)-1-phenylethyl]propan-1-imine (PubChem CID 10725667) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]propan-1-imine
PubChem CID10725667
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[(1R)-1-phenylethyl]propan-1-imine
SMILESCC/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b12-9+/t10-/m1/s1
InChIKeyUHVWRYGIKJCQIN-QSARLWQPSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-phenylethyl]propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]propan-1-imine?
The IUPAC name of N-[(1R)-1-phenylethyl]propan-1-imine (CID 10725667) is N-[(1R)-1-phenylethyl]propan-1-imine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]propan-1-imine?
The canonical SMILES for N-[(1R)-1-phenylethyl]propan-1-imine is CC/C=N/[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]propan-1-imine?
The InChIKey is UHVWRYGIKJCQIN-QSARLWQPSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b12-9+/t10-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]propan-1-imine?
N-[(1R)-1-phenylethyl]propan-1-imine has a molecular weight of 161.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]propan-1-imine is sourced from PubChem (CID 10725667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).