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

C15H24NO2P — CID 101016684

IUPACtrans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine
SMILESCOP(=O)(CC[C@@]1(N(C)C)C[C@H]1C)c1ccccc1
InChIInChI=1S/C15H24NO2P/c1-13-12-15(13,16(2)3)10-11-19(17,18-4)14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/t13-,15-,19?/m1/s1
InChIKeyDTVDNCHNCWVWCB-PIAVTGDYSA-N
MW281.34 g/mol
LogP2.97
Rot. Bonds6

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

trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine (PubChem CID 101016684) has the molecular formula C15H24NO2P and a molecular weight of 281.34 g/mol. Its IUPAC name is trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine
PubChem CID101016684
Molecular FormulaC15H24NO2P
Molecular Weight281.34 g/mol
Exact Mass281.15
IUPAC Nametrans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine
SMILESCOP(=O)(CC[C@@]1(N(C)C)C[C@H]1C)c1ccccc1
InChIInChI=1S/C15H24NO2P/c1-13-12-15(13,16(2)3)10-11-19(17,18-4)14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/t13-,15-,19?/m1/s1
InChIKeyDTVDNCHNCWVWCB-PIAVTGDYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.97
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 trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine (CID 101016684) is trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine is COP(=O)(CC[C@@]1(N(C)C)C[C@H]1C)c1ccccc1.
What is the InChIKey of trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine?
The InChIKey is DTVDNCHNCWVWCB-PIAVTGDYSA-N. The full InChI is InChI=1S/C15H24NO2P/c1-13-12-15(13,16(2)3)10-11-19(17,18-4)14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/t13-,15-,19?/m1/s1.
What are the key properties of trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine?
trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine has a molecular weight of 281.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N,2-trimethylcyclopropan-1-amine is sourced from PubChem (CID 101016684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).