5-bromo-2-methoxy-4-phosphanylaniline

C7H9BrNOP — CID 170176312

IUPAC5-bromo-2-methoxy-4-phosphanylaniline
SMILESCOc1cc(P)c(Br)cc1N
InChIInChI=1S/C7H9BrNOP/c1-10-6-3-7(11)4(8)2-5(6)9/h2-3H,9,11H2,1H3
InChIKeyGPUPMTMNPPYXDP-UHFFFAOYSA-N
MW234.03 g/mol
LogP1.54
Rot. Bonds1

About 5-bromo-2-methoxy-4-phosphanylaniline

5-bromo-2-methoxy-4-phosphanylaniline (PubChem CID 170176312) has the molecular formula C7H9BrNOP and a molecular weight of 234.03 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-phosphanylaniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-phosphanylaniline
PubChem CID170176312
Molecular FormulaC7H9BrNOP
Molecular Weight234.03 g/mol
Exact Mass232.96
IUPAC Name5-bromo-2-methoxy-4-phosphanylaniline
SMILESCOc1cc(P)c(Br)cc1N
InChIInChI=1S/C7H9BrNOP/c1-10-6-3-7(11)4(8)2-5(6)9/h2-3H,9,11H2,1H3
InChIKeyGPUPMTMNPPYXDP-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.03
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-2-methoxyaniline
CID 75537158
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
5-amino-2-bromo-4-methoxybenzonitrile
CID 131504972
5-bromo-4-methoxy-2-nitrosoaniline
CID 135217869
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
5-bromo-4-(3,3-difluoropiperidin-1-yl)-2-methoxyaniline
CID 169490492
4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
CID 141296455
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334
4-bromo-2-methoxy-5-methylaniline;methyl 4-amino-5-methoxy-2-methylbenzoate
CID 165064498
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-phosphanylaniline?
The IUPAC name of 5-bromo-2-methoxy-4-phosphanylaniline (CID 170176312) is 5-bromo-2-methoxy-4-phosphanylaniline.
What is the SMILES notation for 5-bromo-2-methoxy-4-phosphanylaniline?
The canonical SMILES for 5-bromo-2-methoxy-4-phosphanylaniline is COc1cc(P)c(Br)cc1N.
What is the InChIKey of 5-bromo-2-methoxy-4-phosphanylaniline?
The InChIKey is GPUPMTMNPPYXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrNOP/c1-10-6-3-7(11)4(8)2-5(6)9/h2-3H,9,11H2,1H3.
What are the key properties of 5-bromo-2-methoxy-4-phosphanylaniline?
5-bromo-2-methoxy-4-phosphanylaniline has a molecular weight of 234.03 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-phosphanylaniline is sourced from PubChem (CID 170176312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).