(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine

C11H17ClNO3P — CID 2313111

IUPAC(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClNO3P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11H,3-4,13H2,1-2H3/t11-/m1/s1
InChIKeyCLTNPSYRMWSMNP-LLVKDONJSA-N
MW277.69 g/mol
LogP3.56
Rot. Bonds6

About (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine

(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine (PubChem CID 2313111) has the molecular formula C11H17ClNO3P and a molecular weight of 277.69 g/mol. Its IUPAC name is (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine.

Molecular Properties

Compound Name(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
PubChem CID2313111
Molecular FormulaC11H17ClNO3P
Molecular Weight277.69 g/mol
Exact Mass277.06
IUPAC Name(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClNO3P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11H,3-4,13H2,1-2H3/t11-/m1/s1
InChIKeyCLTNPSYRMWSMNP-LLVKDONJSA-N
XLogP3.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
CID 171191723
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192335
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
CID 171192056
(S)-diethoxyphosphoryl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171191830
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
[4-[(R)-amino(diethoxyphosphoryl)methyl]phenyl] acetate
CID 171192289
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
CID 171192048
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
(R)-diethoxyphosphoryl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171192259
(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine?
The IUPAC name of (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine (CID 2313111) is (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine.
What is the SMILES notation for (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine?
The canonical SMILES for (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine is CCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine?
The InChIKey is CLTNPSYRMWSMNP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17ClNO3P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11H,3-4,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine?
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine has a molecular weight of 277.69 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine is sourced from PubChem (CID 2313111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).