[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid

C19H19N2O2P — CID 21325869

IUPAC[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid
SMILESOP(O)C(NC(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H19N2O2P/c22-24(23)19(17-12-7-13-20-14-17)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18-19,21-23H
InChIKeyCRUGQJPNGCETSQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.76
Rot. Bonds6

About [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid

[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid (PubChem CID 21325869) has the molecular formula C19H19N2O2P and a molecular weight of 338.35 g/mol. Its IUPAC name is [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid.

Molecular Properties

Compound Name[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid
PubChem CID21325869
Molecular FormulaC19H19N2O2P
Molecular Weight338.35 g/mol
Exact Mass338.12
IUPAC Name[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid
SMILESOP(O)C(NC(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H19N2O2P/c22-24(23)19(17-12-7-13-20-14-17)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18-19,21-23H
InChIKeyCRUGQJPNGCETSQ-UHFFFAOYSA-N
XLogP3.76
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(benzhydrylamino)ethylphosphonous acid
CID 21325890
2,2-dipyridin-3-ylethanol
CID 57450821
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
[methylamino(phenyl)methyl]phosphonous acid
CID 177256216

Frequently Asked Questions

What is the IUPAC name of [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid?
The IUPAC name of [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid (CID 21325869) is [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid.
What is the SMILES notation for [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid?
The canonical SMILES for [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid is OP(O)C(NC(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid?
The InChIKey is CRUGQJPNGCETSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2P/c22-24(23)19(17-12-7-13-20-14-17)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18-19,21-23H.
What are the key properties of [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid?
[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid has a molecular weight of 338.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid is sourced from PubChem (CID 21325869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).