N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline

C22H32NO3P — CID 18859987

IUPACN-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H32NO3P/c1-16(2)19-12-14-20(15-13-19)22(23-21-10-8-7-9-11-21)27(24,25-17(3)4)26-18(5)6/h7-18,22-23H,1-6H3
InChIKeyIBBFRGJIJUHJSX-UHFFFAOYSA-N
MW389.48 g/mol
LogP6.96
Rot. Bonds9

About N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline

N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 18859987) has the molecular formula C22H32NO3P and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
PubChem CID18859987
Molecular FormulaC22H32NO3P
Molecular Weight389.48 g/mol
Exact Mass389.21
IUPAC NameN-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H32NO3P/c1-16(2)19-12-14-20(15-13-19)22(23-21-10-8-7-9-11-21)27(24,25-17(3)4)26-18(5)6/h7-18,22-23H,1-6H3
InChIKeyIBBFRGJIJUHJSX-UHFFFAOYSA-N
XLogP6.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[anilino-di(propan-2-yloxy)phosphorylmethyl]-N,N-dimethylaniline
CID 3450279
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
2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol
CID 2833853
N-[(4-bromophenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-chloroaniline
CID 4299844
4-[[anilino-(4-propan-2-ylphenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 3328597
ethyl 4-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]benzoate
CID 21210661
N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-methylaniline
CID 21210765
N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
CID 3558398
N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methyl]-3-nitroaniline
CID 21210975
N-[(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-4-propan-2-ylaniline
CID 7083751

Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline (CID 18859987) is N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline is CC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is IBBFRGJIJUHJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32NO3P/c1-16(2)19-12-14-20(15-13-19)22(23-21-10-8-7-9-11-21)27(24,25-17(3)4)26-18(5)6/h7-18,22-23H,1-6H3.
What are the key properties of N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline?
N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 389.48 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 18859987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).