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

C14H22NO2P — CID 101016683

IUPAC1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
SMILESCOP(=O)(CCC1(N(C)C)CC1)c1ccccc1
InChIInChI=1S/C14H22NO2P/c1-15(2)14(9-10-14)11-12-18(16,17-3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyAQZFMRJWMVQUSH-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.72
Rot. Bonds6

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

1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine (PubChem CID 101016683) has the molecular formula C14H22NO2P and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
PubChem CID101016683
Molecular FormulaC14H22NO2P
Molecular Weight267.31 g/mol
Exact Mass267.14
IUPAC Name1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
SMILESCOP(=O)(CCC1(N(C)C)CC1)c1ccccc1
InChIInChI=1S/C14H22NO2P/c1-15(2)14(9-10-14)11-12-18(16,17-3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyAQZFMRJWMVQUSH-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.72
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 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine (CID 101016683) is 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine is COP(=O)(CCC1(N(C)C)CC1)c1ccccc1.
What is the InChIKey of 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
The InChIKey is AQZFMRJWMVQUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO2P/c1-15(2)14(9-10-14)11-12-18(16,17-3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine?
1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine has a molecular weight of 267.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 101016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).