(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine

C11H17BrNO3P — CID 171191613

IUPAC(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1ccccc1Br
InChIInChI=1S/C11H17BrNO3P/c1-3-15-17(14,16-4-2)11(13)9-7-5-6-8-10(9)12/h5-8,11H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyZITQDVCXQACSBN-NSHDSACASA-N
MW322.14 g/mol
LogP3.67
Rot. Bonds6

About (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine

(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine (PubChem CID 171191613) has the molecular formula C11H17BrNO3P and a molecular weight of 322.14 g/mol. Its IUPAC name is (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine.

Molecular Properties

Compound Name(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine
PubChem CID171191613
Molecular FormulaC11H17BrNO3P
Molecular Weight322.14 g/mol
Exact Mass321.01
IUPAC Name(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1ccccc1Br
InChIInChI=1S/C11H17BrNO3P/c1-3-15-17(14,16-4-2)11(13)9-7-5-6-8-10(9)12/h5-8,11H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyZITQDVCXQACSBN-NSHDSACASA-N
XLogP3.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.67
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

2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
(S)-(2-bromo-4-methylphenyl)-diethoxyphosphorylmethanamine
CID 171191706
(S)-(2-bromo-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191718
(S)-(4-bromo-2,5-dimethoxyphenyl)-diethoxyphosphorylmethanamine
CID 171191976
(S)-diethoxyphosphoryl-(2-nitrophenyl)methanamine
CID 171191620
(S)-diethoxyphosphoryl-(2,3-difluorophenyl)methanamine
CID 171191753
(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine
CID 171192167
1-[bromo(diethoxyphosphoryl)methyl]-2-methylbenzene
CID 54219475
(S)-(3-bromo-2,6-difluorophenyl)-diethoxyphosphorylmethanamine
CID 171191778
4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
CID 171192094

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine?
The IUPAC name of (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine (CID 171191613) is (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine.
What is the SMILES notation for (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine?
The canonical SMILES for (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine is CCOP(=O)(OCC)[C@H](N)c1ccccc1Br.
What is the InChIKey of (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine?
The InChIKey is ZITQDVCXQACSBN-NSHDSACASA-N. The full InChI is InChI=1S/C11H17BrNO3P/c1-3-15-17(14,16-4-2)11(13)9-7-5-6-8-10(9)12/h5-8,11H,3-4,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine?
(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine has a molecular weight of 322.14 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-bromophenyl)-diethoxyphosphorylmethanamine is sourced from PubChem (CID 171191613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).