[amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide

C19H21BrNO3P — CID 160935046

IUPAC[amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide
SMILESBr.NC(c1ccccc1)P(=O)(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H10NO3P.BrH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-10H;1-5,7H,8H2,(H2,9,10,11);1H
InChIKeySTTPIEJZSZSPOM-UHFFFAOYSA-N
MW422.26 g/mol
LogP4.75
Rot. Bonds3

About [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide

[amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide (PubChem CID 160935046) has the molecular formula C19H21BrNO3P and a molecular weight of 422.26 g/mol. Its IUPAC name is [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide.

Molecular Properties

Compound Name[amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide
PubChem CID160935046
Molecular FormulaC19H21BrNO3P
Molecular Weight422.26 g/mol
Exact Mass421.04
IUPAC Name[amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide
SMILESBr.NC(c1ccccc1)P(=O)(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H10NO3P.BrH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-10H;1-5,7H,8H2,(H2,9,10,11);1H
InChIKeySTTPIEJZSZSPOM-UHFFFAOYSA-N
XLogP4.75
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(alpha-Aminobenzyl)phosphonic acid
CID 98449
Alpha-Benzyl-Aminobenzyl-Phosphonic Acid
CID 447336
Alpha-benzylaminobenzylphosphonic acid
CID 4469578
Bis(1-amino-2-phenylethyl)phosphinic acid
CID 11833633
(E,1R)-N-diphenylphosphoryl-3-methyl-1-phenylhept-2-en-1-amine
CID 5461338
(1-Amino-2-phenylethyl)-(1-amino-3-phenylpropyl)phosphinic acid
CID 44425173
Bis(1-amino-3-phenylpropyl)phosphinic acid
CID 44425174
Phosphinic acid, (aminophenylmethyl)-
CID 6379794
(2-(diphenylphosphino)phenyl)MethanaMine
CID 11119846
[(R)-amino(phenyl)methyl]phosphonic acid
CID 1550365
(1R)-N-diphenylphosphoryl-1-phenylethanamine
CID 10615740
P,P-Diphenyl-N-(1-phenylethyl)phosphinic amide
CID 376265

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide?
The IUPAC name of [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide (CID 160935046) is [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide.
What is the SMILES notation for [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide?
The canonical SMILES for [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide is Br.NC(c1ccccc1)P(=O)(O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide?
The InChIKey is STTPIEJZSZSPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C7H10NO3P.BrH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-10H;1-5,7H,8H2,(H2,9,10,11);1H.
What are the key properties of [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide?
[amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide has a molecular weight of 422.26 g/mol, XLogP of 4.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methyl]phosphonic acid;1,1'-biphenyl;hydrobromide is sourced from PubChem (CID 160935046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).