N-[anilino(diethylamino)phosphoryl]aniline

C16H22N3OP — CID 17186015

IUPACN-[anilino(diethylamino)phosphoryl]aniline
SMILESCCN(CC)P(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H22N3OP/c1-3-19(4-2)21(20,17-15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,17,18,20)
InChIKeyMSZSRBZINDAVFT-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.66
Rot. Bonds7

About N-[anilino(diethylamino)phosphoryl]aniline

N-[anilino(diethylamino)phosphoryl]aniline (PubChem CID 17186015) has the molecular formula C16H22N3OP and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[anilino(diethylamino)phosphoryl]aniline.

Molecular Properties

Compound NameN-[anilino(diethylamino)phosphoryl]aniline
PubChem CID17186015
Molecular FormulaC16H22N3OP
Molecular Weight303.35 g/mol
Exact Mass303.15
IUPAC NameN-[anilino(diethylamino)phosphoryl]aniline
SMILESCCN(CC)P(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H22N3OP/c1-3-19(4-2)21(20,17-15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,17,18,20)
InChIKeyMSZSRBZINDAVFT-UHFFFAOYSA-N
XLogP4.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[anilino(diethylamino)phosphoryl]aniline?
The IUPAC name of N-[anilino(diethylamino)phosphoryl]aniline (CID 17186015) is N-[anilino(diethylamino)phosphoryl]aniline.
What is the SMILES notation for N-[anilino(diethylamino)phosphoryl]aniline?
The canonical SMILES for N-[anilino(diethylamino)phosphoryl]aniline is CCN(CC)P(=O)(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of N-[anilino(diethylamino)phosphoryl]aniline?
The InChIKey is MSZSRBZINDAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3OP/c1-3-19(4-2)21(20,17-15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,17,18,20).
What are the key properties of N-[anilino(diethylamino)phosphoryl]aniline?
N-[anilino(diethylamino)phosphoryl]aniline has a molecular weight of 303.35 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino(diethylamino)phosphoryl]aniline is sourced from PubChem (CID 17186015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).