2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol

C19H26NO4P — CID 2833853

IUPAC2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C19H26NO4P/c1-14(2)23-25(22,24-15(3)4)19(17-12-8-9-13-18(17)21)20-16-10-6-5-7-11-16/h5-15,19-21H,1-4H3
InChIKeyAMNADCFRUNJXII-UHFFFAOYSA-N
MW363.39 g/mol
LogP5.55
Rot. Bonds8

About 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol

2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol (PubChem CID 2833853) has the molecular formula C19H26NO4P and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol.

Molecular Properties

Compound Name2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol
PubChem CID2833853
Molecular FormulaC19H26NO4P
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C19H26NO4P/c1-14(2)23-25(22,24-15(3)4)19(17-12-8-9-13-18(17)21)20-16-10-6-5-7-11-16/h5-15,19-21H,1-4H3
InChIKeyAMNADCFRUNJXII-UHFFFAOYSA-N
XLogP5.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 55.55
H-Bond Donors ≤ 52
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

N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
CID 18859987
methyl 4-[[di(propan-2-yloxy)phosphoryl-(2-methoxyphenyl)methyl]amino]benzoate
CID 21210999
4-[anilino-di(propan-2-yloxy)phosphorylmethyl]-N,N-dimethylaniline
CID 3450279
ethyl 4-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]benzoate
CID 21210661
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
CID 2833850
N-[(R)-di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
CID 2054260
N-[(2,4-dimethoxyphenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-methoxyaniline
CID 21210947
N-[(R)-dimethoxyphosphoryl-(2-nitrophenyl)methyl]aniline
CID 7369569
[[2-[[[hydroxy(methyl)phosphoryl]-(2-hydroxyphenyl)methyl]amino]ethylamino]-(2-hydroxyphenyl)methyl]-methylphosphinic acid
CID 23422856
N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine
CID 21210836
[anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid
CID 22310127
N-[(4-bromophenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-chloroaniline
CID 4299844

Frequently Asked Questions

What is the IUPAC name of 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol?
The IUPAC name of 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol (CID 2833853) is 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol.
What is the SMILES notation for 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol?
The canonical SMILES for 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol is CC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol?
The InChIKey is AMNADCFRUNJXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO4P/c1-14(2)23-25(22,24-15(3)4)19(17-12-8-9-13-18(17)21)20-16-10-6-5-7-11-16/h5-15,19-21H,1-4H3.
What are the key properties of 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol?
2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol has a molecular weight of 363.39 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol is sourced from PubChem (CID 2833853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).