[1-(1-phenylethyl)imidazolidin-4-yl]methanamine

C12H19N3 — CID 71161876

IUPAC[1-(1-phenylethyl)imidazolidin-4-yl]methanamine
SMILESCC(c1ccccc1)N1CNC(CN)C1
InChIInChI=1S/C12H19N3/c1-10(11-5-3-2-4-6-11)15-8-12(7-13)14-9-15/h2-6,10,12,14H,7-9,13H2,1H3
InChIKeyNKRJZPBOKZERKZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.94
Rot. Bonds3

About [1-(1-phenylethyl)imidazolidin-4-yl]methanamine

[1-(1-phenylethyl)imidazolidin-4-yl]methanamine (PubChem CID 71161876) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is [1-(1-phenylethyl)imidazolidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1-phenylethyl)imidazolidin-4-yl]methanamine
PubChem CID71161876
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name[1-(1-phenylethyl)imidazolidin-4-yl]methanamine
SMILESCC(c1ccccc1)N1CNC(CN)C1
InChIInChI=1S/C12H19N3/c1-10(11-5-3-2-4-6-11)15-8-12(7-13)14-9-15/h2-6,10,12,14H,7-9,13H2,1H3
InChIKeyNKRJZPBOKZERKZ-UHFFFAOYSA-N
XLogP0.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylethyl)imidazolidin-4-yl]methanamine?
The IUPAC name of [1-(1-phenylethyl)imidazolidin-4-yl]methanamine (CID 71161876) is [1-(1-phenylethyl)imidazolidin-4-yl]methanamine.
What is the SMILES notation for [1-(1-phenylethyl)imidazolidin-4-yl]methanamine?
The canonical SMILES for [1-(1-phenylethyl)imidazolidin-4-yl]methanamine is CC(c1ccccc1)N1CNC(CN)C1.
What is the InChIKey of [1-(1-phenylethyl)imidazolidin-4-yl]methanamine?
The InChIKey is NKRJZPBOKZERKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(11-5-3-2-4-6-11)15-8-12(7-13)14-9-15/h2-6,10,12,14H,7-9,13H2,1H3.
What are the key properties of [1-(1-phenylethyl)imidazolidin-4-yl]methanamine?
[1-(1-phenylethyl)imidazolidin-4-yl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylethyl)imidazolidin-4-yl]methanamine is sourced from PubChem (CID 71161876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).