[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid

C15H18NO4P — CID 171527926

IUPAC[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid
SMILESOc1ccccc1CN(Cc1ccccc1O)CP(O)O
InChIInChI=1S/C15H18NO4P/c17-14-7-3-1-5-12(14)9-16(11-21(19)20)10-13-6-2-4-8-15(13)18/h1-8,17-20H,9-11H2
InChIKeyIGWGVITZMFVDSU-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.35
Rot. Bonds6

About [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid

[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid (PubChem CID 171527926) has the molecular formula C15H18NO4P and a molecular weight of 307.29 g/mol. Its IUPAC name is [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid.

Molecular Properties

Compound Name[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid
PubChem CID171527926
Molecular FormulaC15H18NO4P
Molecular Weight307.29 g/mol
Exact Mass307.10
IUPAC Name[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid
SMILESOc1ccccc1CN(Cc1ccccc1O)CP(O)O
InChIInChI=1S/C15H18NO4P/c17-14-7-3-1-5-12(14)9-16(11-21(19)20)10-13-6-2-4-8-15(13)18/h1-8,17-20H,9-11H2
InChIKeyIGWGVITZMFVDSU-UHFFFAOYSA-N
XLogP2.35
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-[[hydroxy(oxido)amino]methyl]phenol
CID 141185826
2-[[bis(3-methylbutyl)amino]methyl]phenol
CID 107871853
2-[[2-[(2-hydroxyphenyl)methyl-(phenoxymethyl)amino]ethyl-(phenoxymethyl)amino]methyl]phenol
CID 67015156
ethane;2-[[[3-[(2-hydroxyphenyl)methyl-methylamino]-2,3-dimethylbutan-2-yl]-methylamino]methyl]phenol
CID 167677663
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid
CID 163328185
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
2-[[2-[(2-hydroxyphenyl)methyl-(propan-2-yloxymethyl)amino]ethyl-(propan-2-yloxymethyl)amino]methyl]phenol
CID 67015131
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
N,N-bis[(2-hydroxyphenyl)methyl]acetamide
CID 88774811
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964

Frequently Asked Questions

What is the IUPAC name of [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid?
The IUPAC name of [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid (CID 171527926) is [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid.
What is the SMILES notation for [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid?
The canonical SMILES for [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid is Oc1ccccc1CN(Cc1ccccc1O)CP(O)O.
What is the InChIKey of [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid?
The InChIKey is IGWGVITZMFVDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO4P/c17-14-7-3-1-5-12(14)9-16(11-21(19)20)10-13-6-2-4-8-15(13)18/h1-8,17-20H,9-11H2.
What are the key properties of [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid?
[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid has a molecular weight of 307.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid is sourced from PubChem (CID 171527926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).