[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid

C18H24NO2P — CID 21325851

IUPAC[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid
SMILESCCC(C)C(NC(c1ccccc1)c1ccccc1)P(O)O
InChIInChI=1S/C18H24NO2P/c1-3-14(2)18(22(20)21)19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-21H,3H2,1-2H3
InChIKeyIDOQDFPEDWFNOX-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.03
Rot. Bonds7

About [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid

[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid (PubChem CID 21325851) has the molecular formula C18H24NO2P and a molecular weight of 317.37 g/mol. Its IUPAC name is [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid.

Molecular Properties

Compound Name[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid
PubChem CID21325851
Molecular FormulaC18H24NO2P
Molecular Weight317.37 g/mol
Exact Mass317.15
IUPAC Name[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid
SMILESCCC(C)C(NC(c1ccccc1)c1ccccc1)P(O)O
InChIInChI=1S/C18H24NO2P/c1-3-14(2)18(22(20)21)19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-21H,3H2,1-2H3
InChIKeyIDOQDFPEDWFNOX-UHFFFAOYSA-N
XLogP4.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzhydrylamino)propan-1-ol
CID 43499566
1-(benzhydrylamino)ethylphosphonous acid
CID 21325890
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
N-benzhydryl-1-chloropropan-1-amine
CID 70410579
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
CID 144917101
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
1-(benzhydrylamino)-1-chloropropan-2-ol
CID 89396786
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499

Frequently Asked Questions

What is the IUPAC name of [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid?
The IUPAC name of [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid (CID 21325851) is [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid.
What is the SMILES notation for [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid?
The canonical SMILES for [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid is CCC(C)C(NC(c1ccccc1)c1ccccc1)P(O)O.
What is the InChIKey of [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid?
The InChIKey is IDOQDFPEDWFNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO2P/c1-3-14(2)18(22(20)21)19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-21H,3H2,1-2H3.
What are the key properties of [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid?
[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid has a molecular weight of 317.37 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzhydrylamino)-2-methylbutyl]phosphonous acid is sourced from PubChem (CID 21325851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).