4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline

C26H33N2O2P — CID 3266264

IUPAC4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
SMILESCC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C26H33N2O2P/c1-21(2)19-20-30-31(29,25-17-15-24(16-18-25)28(3)4)26(22-11-7-5-8-12-22)27-23-13-9-6-10-14-23/h5-18,21,26-27H,19-20H2,1-4H3
InChIKeyUZTPWQHVXIBFQF-UHFFFAOYSA-N
MW436.54 g/mol
LogP6.53
Rot. Bonds10

About 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline

4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline (PubChem CID 3266264) has the molecular formula C26H33N2O2P and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
PubChem CID3266264
Molecular FormulaC26H33N2O2P
Molecular Weight436.54 g/mol
Exact Mass436.23
IUPAC Name4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
SMILESCC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C26H33N2O2P/c1-21(2)19-20-30-31(29,25-17-15-24(16-18-25)28(3)4)26(22-11-7-5-8-12-22)27-23-13-9-6-10-14-23/h5-18,21,26-27H,19-20H2,1-4H3
InChIKeyUZTPWQHVXIBFQF-UHFFFAOYSA-N
XLogP6.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 56.53
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-[[(R)-anilino(phenyl)methyl]-(2-methylpropoxy)phosphoryl]-N,N-dimethylaniline
CID 11862710
4-[[anilino-(2,6-dichlorophenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 5100468
4-[[anilino-(2,4-dimethoxyphenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 3631354
4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline
CID 11863272
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
4-[[(R)-anilino(pyridin-3-yl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
CID 11863002
4-[[(R)-anilino-(4-chlorophenyl)methyl]-ethoxyphosphoryl]-N,N-dimethylaniline
CID 41078696
4-[[anilino-(4-propan-2-ylphenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 3328597
N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine
CID 23746527
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

Frequently Asked Questions

What is the IUPAC name of 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline?
The IUPAC name of 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline (CID 3266264) is 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline is CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline?
The InChIKey is UZTPWQHVXIBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N2O2P/c1-21(2)19-20-30-31(29,25-17-15-24(16-18-25)28(3)4)26(22-11-7-5-8-12-22)27-23-13-9-6-10-14-23/h5-18,21,26-27H,19-20H2,1-4H3.
What are the key properties of 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline?
4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline has a molecular weight of 436.54 g/mol, XLogP of 6.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline is sourced from PubChem (CID 3266264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).