N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine

C23H28NO3P — CID 2833850

IUPACN-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C23H28NO3P/c1-17(2)26-28(25,27-18(3)4)23(20-11-6-5-7-12-20)24-22-15-14-19-10-8-9-13-21(19)16-22/h5-18,23-24H,1-4H3
InChIKeyBUWLXIFADROBQO-UHFFFAOYSA-N
MW397.46 g/mol
LogP6.99
Rot. Bonds8

About N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine

N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine (PubChem CID 2833850) has the molecular formula C23H28NO3P and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
PubChem CID2833850
Molecular FormulaC23H28NO3P
Molecular Weight397.46 g/mol
Exact Mass397.18
IUPAC NameN-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
SMILESCC(C)OP(=O)(OC(C)C)C(Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C23H28NO3P/c1-17(2)26-28(25,27-18(3)4)23(20-11-6-5-7-12-20)24-22-15-14-19-10-8-9-13-21(19)16-22/h5-18,23-24H,1-4H3
InChIKeyBUWLXIFADROBQO-UHFFFAOYSA-N
XLogP6.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 56.99
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

N-[(R)-di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
CID 2054260
N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
CID 18859987
ethyl 4-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]benzoate
CID 21210661
4-[anilino-di(propan-2-yloxy)phosphorylmethyl]-N,N-dimethylaniline
CID 3450279
[naphthalen-2-yl-(3-propan-2-ylanilino)methyl]phosphonic acid
CID 42948663
N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine
CID 23746527
N-[di(propan-2-yloxy)phosphoryl-(3-nitrophenyl)methyl]-3-nitroaniline
CID 2878486
4-N-[(S)-di(propan-2-yloxy)phosphoryl-(4-methoxyphenyl)methyl]-2-nitrobenzene-1,4-diamine
CID 95091760
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]-4-methoxybenzamide
CID 101452186
2-[anilino-di(propan-2-yloxy)phosphorylmethyl]phenol
CID 2833853
N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
N-[(4-bromophenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-chloroaniline
CID 4299844

Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine?
The IUPAC name of N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine (CID 2833850) is N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine.
What is the SMILES notation for N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine?
The canonical SMILES for N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine is CC(C)OP(=O)(OC(C)C)C(Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine?
The InChIKey is BUWLXIFADROBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28NO3P/c1-17(2)26-28(25,27-18(3)4)23(20-11-6-5-7-12-20)24-22-15-14-19-10-8-9-13-21(19)16-22/h5-18,23-24H,1-4H3.
What are the key properties of N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine?
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine has a molecular weight of 397.46 g/mol, XLogP of 6.99, 8 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-phenylmethyl]naphthalen-2-amine is sourced from PubChem (CID 2833850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).