cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine

C15H24NO3P — CID 101016716

IUPACcis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine
SMILESCOP(=O)(CC[C@@]1(N(C)C)C[C@H]1c1ccccc1)OC
InChIInChI=1S/C15H24NO3P/c1-16(2)15(10-11-20(17,18-3)19-4)12-14(15)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyFMLJVUOPAMULFT-LSDHHAIUSA-N
MW297.34 g/mol
LogP3.35
Rot. Bonds7

About cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine

cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine (PubChem CID 101016716) has the molecular formula C15H24NO3P and a molecular weight of 297.34 g/mol. Its IUPAC name is cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine
PubChem CID101016716
Molecular FormulaC15H24NO3P
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Namecis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine
SMILESCOP(=O)(CC[C@@]1(N(C)C)C[C@H]1c1ccccc1)OC
InChIInChI=1S/C15H24NO3P/c1-16(2)15(10-11-20(17,18-3)19-4)12-14(15)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyFMLJVUOPAMULFT-LSDHHAIUSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine 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 cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine (CID 101016716) is cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine is COP(=O)(CC[C@@]1(N(C)C)C[C@H]1c1ccccc1)OC.
What is the InChIKey of cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine?
The InChIKey is FMLJVUOPAMULFT-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-16(2)15(10-11-20(17,18-3)19-4)12-14(15)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine?
cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine has a molecular weight of 297.34 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(2-dimethoxyphosphorylethyl)-N,N-dimethyl-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 101016716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).