(1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine

C14H24NO2P — CID 134932567

IUPAC(1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine
SMILESCCOP(OCC)c1ccccc1[C@@H](C)N(C)C
InChIInChI=1S/C14H24NO2P/c1-6-16-18(17-7-2)14-11-9-8-10-13(14)12(3)15(4)5/h8-12H,6-7H2,1-5H3/t12-/m1/s1
InChIKeyRTCJVKPPOAGVBN-GFCCVEGCSA-N
MW269.32 g/mol
LogP3.32
Rot. Bonds7

About (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine

(1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine (PubChem CID 134932567) has the molecular formula C14H24NO2P and a molecular weight of 269.32 g/mol. Its IUPAC name is (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine
PubChem CID134932567
Molecular FormulaC14H24NO2P
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name(1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine
SMILESCCOP(OCC)c1ccccc1[C@@H](C)N(C)C
InChIInChI=1S/C14H24NO2P/c1-6-16-18(17-7-2)14-11-9-8-10-13(14)12(3)15(4)5/h8-12H,6-7H2,1-5H3/t12-/m1/s1
InChIKeyRTCJVKPPOAGVBN-GFCCVEGCSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.32
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 (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine (CID 134932567) is (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine is CCOP(OCC)c1ccccc1[C@@H](C)N(C)C.
What is the InChIKey of (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine?
The InChIKey is RTCJVKPPOAGVBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24NO2P/c1-6-16-18(17-7-2)14-11-9-8-10-13(14)12(3)15(4)5/h8-12H,6-7H2,1-5H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine?
(1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine has a molecular weight of 269.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-diethoxyphosphanylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 134932567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).