cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine

C16H26NO2P — CID 101016688

IUPACcis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
SMILESCC[C@@H]1C[C@@]1(CCP(=O)(OC)c1ccccc1)N(C)C
InChIInChI=1S/C16H26NO2P/c1-5-14-13-16(14,17(2)3)11-12-20(18,19-4)15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3/t14-,16-,20?/m1/s1
InChIKeyXIXDSNNZRHXWCO-BISUUYRGSA-N
MW295.36 g/mol
LogP3.36
Rot. Bonds7

About cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine

cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine (PubChem CID 101016688) has the molecular formula C16H26NO2P and a molecular weight of 295.36 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
PubChem CID101016688
Molecular FormulaC16H26NO2P
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Namecis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
SMILESCC[C@@H]1C[C@@]1(CCP(=O)(OC)c1ccccc1)N(C)C
InChIInChI=1S/C16H26NO2P/c1-5-14-13-16(14,17(2)3)11-12-20(18,19-4)15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3/t14-,16-,20?/m1/s1
InChIKeyXIXDSNNZRHXWCO-BISUUYRGSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine (CID 101016688) is cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine is CC[C@@H]1C[C@@]1(CCP(=O)(OC)c1ccccc1)N(C)C.
What is the InChIKey of cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
The InChIKey is XIXDSNNZRHXWCO-BISUUYRGSA-N. The full InChI is InChI=1S/C16H26NO2P/c1-5-14-13-16(14,17(2)3)11-12-20(18,19-4)15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3/t14-,16-,20?/m1/s1.
What are the key properties of cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine has a molecular weight of 295.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 101016688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).