(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine

C15H26NO4P — CID 171192428

IUPAC(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H26NO4P/c1-6-19-21(17,20-7-2)15(16)13-10-12(11(3)4)8-9-14(13)18-5/h8-11,15H,6-7,16H2,1-5H3/t15-/m1/s1
InChIKeyNZYYRKRGDXQWHW-OAHLLOKOSA-N
MW315.35 g/mol
LogP4.04
Rot. Bonds8

About (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine

(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine (PubChem CID 171192428) has the molecular formula C15H26NO4P and a molecular weight of 315.35 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
PubChem CID171192428
Molecular FormulaC15H26NO4P
Molecular Weight315.35 g/mol
Exact Mass315.16
IUPAC Name(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H26NO4P/c1-6-19-21(17,20-7-2)15(16)13-10-12(11(3)4)8-9-14(13)18-5/h8-11,15H,6-7,16H2,1-5H3/t15-/m1/s1
InChIKeyNZYYRKRGDXQWHW-OAHLLOKOSA-N
XLogP4.04
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.04
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

(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311
(S)-(4-bromo-2,5-dimethoxyphenyl)-diethoxyphosphorylmethanamine
CID 171191976
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
CID 171192094
(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
CID 171192431
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The IUPAC name of (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine (CID 171192428) is (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The canonical SMILES for (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine is CCOP(=O)(OCC)[C@@H](N)c1cc(C(C)C)ccc1OC.
What is the InChIKey of (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The InChIKey is NZYYRKRGDXQWHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26NO4P/c1-6-19-21(17,20-7-2)15(16)13-10-12(11(3)4)8-9-14(13)18-5/h8-11,15H,6-7,16H2,1-5H3/t15-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine has a molecular weight of 315.35 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 171192428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).