[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium

C14H15NO3P+ — CID 6389571

IUPAC[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)C(NCc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H14NO3P/c16-13-9-5-4-8-12(13)14(19(17)18)15-10-11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H-,16,17,18)/p+1
InChIKeyDFURLRJWFVKWCG-UHFFFAOYSA-O
MW276.25 g/mol
LogP2.92
Rot. Bonds5

About [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium

[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium (PubChem CID 6389571) has the molecular formula C14H15NO3P+ and a molecular weight of 276.25 g/mol. Its IUPAC name is [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium
PubChem CID6389571
Molecular FormulaC14H15NO3P+
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)C(NCc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H14NO3P/c16-13-9-5-4-8-12(13)14(19(17)18)15-10-11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H-,16,17,18)/p+1
InChIKeyDFURLRJWFVKWCG-UHFFFAOYSA-O
XLogP2.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium
CID 7005938
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
CID 67592764
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
2-amino-2-(benzylamino)acetic acid
CID 142782950
2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004

Frequently Asked Questions

What is the IUPAC name of [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium?
The IUPAC name of [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium (CID 6389571) is [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium?
The canonical SMILES for [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium is O=[P+](O)C(NCc1ccccc1)c1ccccc1O.
What is the InChIKey of [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium?
The InChIKey is DFURLRJWFVKWCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14NO3P/c16-13-9-5-4-8-12(13)14(19(17)18)15-10-11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H-,16,17,18)/p+1.
What are the key properties of [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium?
[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium has a molecular weight of 276.25 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 6389571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).