(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine

C11H16BrClNO3P — CID 171192167

IUPAC(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H16BrClNO3P/c1-3-16-18(15,17-4-2)11(14)9-7-8(12)5-6-10(9)13/h5-7,11H,3-4,14H2,1-2H3/t11-/m1/s1
InChIKeyPIGJTJGPQIBKPJ-LLVKDONJSA-N
MW356.58 g/mol
LogP4.33
Rot. Bonds6

About (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine

(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine (PubChem CID 171192167) has the molecular formula C11H16BrClNO3P and a molecular weight of 356.58 g/mol. Its IUPAC name is (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine.

Molecular Properties

Compound Name(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine
PubChem CID171192167
Molecular FormulaC11H16BrClNO3P
Molecular Weight356.58 g/mol
Exact Mass354.97
IUPAC Name(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H16BrClNO3P/c1-3-16-18(15,17-4-2)11(14)9-7-8(12)5-6-10(9)13/h5-7,11H,3-4,14H2,1-2H3/t11-/m1/s1
InChIKeyPIGJTJGPQIBKPJ-LLVKDONJSA-N
XLogP4.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.33
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)-(2-chloro-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191766
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192335
(S)-(2-bromo-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191718
(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine
CID 171191613
(S)-(2-bromo-4-methylphenyl)-diethoxyphosphorylmethanamine
CID 171191706
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
ethyl (3R)-3-amino-3-(5-bromo-2-chlorophenyl)propanoate;hydrochloride
CID 171204005
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756
ethyl (3S)-3-amino-3-(5-bromo-2-chlorophenyl)-2-fluoropropanoate
CID 171247721
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine?
The IUPAC name of (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine (CID 171192167) is (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine.
What is the SMILES notation for (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine?
The canonical SMILES for (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine is CCOP(=O)(OCC)[C@@H](N)c1cc(Br)ccc1Cl.
What is the InChIKey of (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine?
The InChIKey is PIGJTJGPQIBKPJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16BrClNO3P/c1-3-16-18(15,17-4-2)11(14)9-7-8(12)5-6-10(9)13/h5-7,11H,3-4,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine?
(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine has a molecular weight of 356.58 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine is sourced from PubChem (CID 171192167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).