1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine

C13H21N2P — CID 130445088

IUPAC1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine
SMILESCC(C)N1CCN(C(C)c2ccccc2)P1
InChIInChI=1S/C13H21N2P/c1-11(2)14-9-10-15(16-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3
InChIKeyDAFAZGUFGRMCKE-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.28
Rot. Bonds3

About 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine

1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine (PubChem CID 130445088) has the molecular formula C13H21N2P and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine
PubChem CID130445088
Molecular FormulaC13H21N2P
Molecular Weight236.30 g/mol
Exact Mass236.14
IUPAC Name1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine
SMILESCC(C)N1CCN(C(C)c2ccccc2)P1
InChIInChI=1S/C13H21N2P/c1-11(2)14-9-10-15(16-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3
InChIKeyDAFAZGUFGRMCKE-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
[1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethylazanium
CID 10738008
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651
1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride
CID 173292599
1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 15468712
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine?
The IUPAC name of 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine (CID 130445088) is 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine.
What is the SMILES notation for 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine?
The canonical SMILES for 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine is CC(C)N1CCN(C(C)c2ccccc2)P1.
What is the InChIKey of 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine?
The InChIKey is DAFAZGUFGRMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2P/c1-11(2)14-9-10-15(16-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3.
What are the key properties of 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine?
1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine has a molecular weight of 236.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-propan-2-yl-1,3,2-diazaphospholidine is sourced from PubChem (CID 130445088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).