(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine

C12H20NO4P — CID 92836108

IUPAC(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1ccccc1OC
InChIInChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-8-6-7-9-11(10)15-3/h6-9,12H,4-5,13H2,1-3H3/t12-/m0/s1
InChIKeyIRVRTKDEZFLKRJ-LBPRGKRZSA-N
MW273.27 g/mol
LogP2.92
Rot. Bonds7

About (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine

(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine (PubChem CID 92836108) has the molecular formula C12H20NO4P and a molecular weight of 273.27 g/mol. Its IUPAC name is (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
PubChem CID92836108
Molecular FormulaC12H20NO4P
Molecular Weight273.27 g/mol
Exact Mass273.11
IUPAC Name(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1ccccc1OC
InChIInChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-8-6-7-9-11(10)15-3/h6-9,12H,4-5,13H2,1-3H3/t12-/m0/s1
InChIKeyIRVRTKDEZFLKRJ-LBPRGKRZSA-N
XLogP2.92
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
CID 171192094
(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 171192428
(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine
CID 171191613
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
CID 171192431
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962
(S)-diethoxyphosphoryl-(2-nitrophenyl)methanamine
CID 171191620
(S)-(4-bromo-2,5-dimethoxyphenyl)-diethoxyphosphorylmethanamine
CID 171191976
(S)-diethoxyphosphoryl-(2,3-difluorophenyl)methanamine
CID 171191753
(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311

Frequently Asked Questions

What is the IUPAC name of (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine?
The IUPAC name of (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine (CID 92836108) is (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine?
The canonical SMILES for (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine is CCOP(=O)(OCC)[C@H](N)c1ccccc1OC.
What is the InChIKey of (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine?
The InChIKey is IRVRTKDEZFLKRJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-8-6-7-9-11(10)15-3/h6-9,12H,4-5,13H2,1-3H3/t12-/m0/s1.
What are the key properties of (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine?
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine has a molecular weight of 273.27 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 92836108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).