1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine

C13H18N2 — CID 64695514

IUPAC1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1Cc1ccccc1CC
InChIInChI=1S/C13H18N2/c1-2-11-6-3-4-7-12(11)10-15-9-5-8-13(15)14/h3-4,6-7,14H,2,5,8-10H2,1H3/b14-13+
InChIKeyXIALASAEICKYNC-BUHFOSPRSA-N
MW202.30 g/mol
LogP2.82
Rot. Bonds3

About 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine

1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine (PubChem CID 64695514) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine
PubChem CID64695514
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1Cc1ccccc1CC
InChIInChI=1S/C13H18N2/c1-2-11-6-3-4-7-12(11)10-15-9-5-8-13(15)14/h3-4,6-7,14H,2,5,8-10H2,1H3/b14-13+
InChIKeyXIALASAEICKYNC-BUHFOSPRSA-N
XLogP2.82
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
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-[(2-ethylphenyl)methyl]pyrrolidin-2-imine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine (CID 64695514) is 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1Cc1ccccc1CC.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine?
The InChIKey is XIALASAEICKYNC-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-11-6-3-4-7-12(11)10-15-9-5-8-13(15)14/h3-4,6-7,14H,2,5,8-10H2,1H3/b14-13+.
What are the key properties of 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine?
1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine has a molecular weight of 202.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine is sourced from PubChem (CID 64695514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).