(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine

C20H28NO5P — CID 171192302

IUPAC(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine
SMILESCCOc1cc([C@H](N)P(=O)(OCC)OCC)ccc1OCc1ccccc1
InChIInChI=1S/C20H28NO5P/c1-4-23-19-14-17(20(21)27(22,25-5-2)26-6-3)12-13-18(19)24-15-16-10-8-7-9-11-16/h7-14,20H,4-6,15,21H2,1-3H3/t20-/m1/s1
InChIKeyOXDHWYIABBRMHD-HXUWFJFHSA-N
MW393.42 g/mol
LogP4.89
Rot. Bonds11

About (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine

(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine (PubChem CID 171192302) has the molecular formula C20H28NO5P and a molecular weight of 393.42 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine
PubChem CID171192302
Molecular FormulaC20H28NO5P
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine
SMILESCCOc1cc([C@H](N)P(=O)(OCC)OCC)ccc1OCc1ccccc1
InChIInChI=1S/C20H28NO5P/c1-4-23-19-14-17(20(21)27(22,25-5-2)26-6-3)12-13-18(19)24-15-16-10-8-7-9-11-16/h7-14,20H,4-6,15,21H2,1-3H3/t20-/m1/s1
InChIKeyOXDHWYIABBRMHD-HXUWFJFHSA-N
XLogP4.89
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311
(S)-diethoxyphosphoryl-(3-phenylmethoxyphenyl)methanamine
CID 171191904
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171230019
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313199
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171210418
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171230009
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66512660
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171243156

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine?
The IUPAC name of (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine (CID 171192302) is (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine?
The canonical SMILES for (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine is CCOc1cc([C@H](N)P(=O)(OCC)OCC)ccc1OCc1ccccc1.
What is the InChIKey of (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine?
The InChIKey is OXDHWYIABBRMHD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28NO5P/c1-4-23-19-14-17(20(21)27(22,25-5-2)26-6-3)12-13-18(19)24-15-16-10-8-7-9-11-16/h7-14,20H,4-6,15,21H2,1-3H3/t20-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine?
(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine has a molecular weight of 393.42 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 171192302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).