4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline

C24H30N3O2P — CID 11863272

IUPAC4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline
SMILESCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H30N3O2P/c1-26(2)21-13-11-19(12-14-21)24(25-20-9-7-6-8-10-20)30(28,29-5)23-17-15-22(16-18-23)27(3)4/h6-18,24-25H,1-5H3/t24-,30+/m1/s1
InChIKeyDPBIYMDFWFIHFR-HLADLETHSA-N
MW423.50 g/mol
LogP5.18
Rot. Bonds8

About 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline

4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline (PubChem CID 11863272) has the molecular formula C24H30N3O2P and a molecular weight of 423.50 g/mol. Its IUPAC name is 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline
PubChem CID11863272
Molecular FormulaC24H30N3O2P
Molecular Weight423.50 g/mol
Exact Mass423.21
IUPAC Name4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline
SMILESCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H30N3O2P/c1-26(2)21-13-11-19(12-14-21)24(25-20-9-7-6-8-10-20)30(28,29-5)23-17-15-22(16-18-23)27(3)4/h6-18,24-25H,1-5H3/t24-,30+/m1/s1
InChIKeyDPBIYMDFWFIHFR-HLADLETHSA-N
XLogP5.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[anilino-(4-propan-2-ylphenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 3328597
4-[[(R)-anilino(phenyl)methyl]-(2-methylpropoxy)phosphoryl]-N,N-dimethylaniline
CID 11862710
4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 3266264
4-[[(R)-anilino-(4-chlorophenyl)methyl]-ethoxyphosphoryl]-N,N-dimethylaniline
CID 41078696
4-[anilino-di(propan-2-yloxy)phosphorylmethyl]-N,N-dimethylaniline
CID 3450279
4-[(R)-anilino-[[4-(dimethylamino)phenyl]-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]methyl]-N,N-dimethylaniline
CID 124775047
4-[[(R)-anilino(pyridin-3-yl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
CID 11863002
4-[[(R)-anilino(pyridin-3-yl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 11863119
4-[[(S)-anilino(phenyl)methyl]-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-N,N-dimethylaniline
CID 51457900
4-[[(S)-anilino(phenyl)methyl]-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-N,N-dimethylaniline
CID 51457902
4-[[(S)-anilino(phenyl)methyl]-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-N,N-dimethylaniline
CID 51457939
N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine
CID 23746527

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline (CID 11863272) is 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline is CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline?
The InChIKey is DPBIYMDFWFIHFR-HLADLETHSA-N. The full InChI is InChI=1S/C24H30N3O2P/c1-26(2)21-13-11-19(12-14-21)24(25-20-9-7-6-8-10-20)30(28,29-5)23-17-15-22(16-18-23)27(3)4/h6-18,24-25H,1-5H3/t24-,30+/m1/s1.
What are the key properties of 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline?
4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline has a molecular weight of 423.50 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 11863272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).