N,N-diphenyl-2-phosphanyloxyaniline

C18H16NOP — CID 141338071

IUPACN,N-diphenyl-2-phosphanyloxyaniline
SMILESPOc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NOP/c21-20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,21H2
InChIKeyBHCQPKVIKGVCOF-UHFFFAOYSA-N
MW293.31 g/mol
LogP5.33
Rot. Bonds4

About N,N-diphenyl-2-phosphanyloxyaniline

N,N-diphenyl-2-phosphanyloxyaniline (PubChem CID 141338071) has the molecular formula C18H16NOP and a molecular weight of 293.31 g/mol. Its IUPAC name is N,N-diphenyl-2-phosphanyloxyaniline.

Molecular Properties

Compound NameN,N-diphenyl-2-phosphanyloxyaniline
PubChem CID141338071
Molecular FormulaC18H16NOP
Molecular Weight293.31 g/mol
Exact Mass293.10
IUPAC NameN,N-diphenyl-2-phosphanyloxyaniline
SMILESPOc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NOP/c21-20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,21H2
InChIKeyBHCQPKVIKGVCOF-UHFFFAOYSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.31
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diphenyl-2-phosphanyloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline
CID 139964589
2-butoxy-N,N-diphenylaniline
CID 154486534
[2-(N-phenylanilino)phenyl] dihydrogen phosphate
CID 151980927
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
boric acid;2-hexoxy-N,N-diphenylaniline
CID 174868149
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969
N,N-diphenylaniline;silane
CID 131739129
4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139847758
2-(2-methylphenoxy)-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123318693

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-phosphanyloxyaniline?
The IUPAC name of N,N-diphenyl-2-phosphanyloxyaniline (CID 141338071) is N,N-diphenyl-2-phosphanyloxyaniline.
What is the SMILES notation for N,N-diphenyl-2-phosphanyloxyaniline?
The canonical SMILES for N,N-diphenyl-2-phosphanyloxyaniline is POc1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-phosphanyloxyaniline?
The InChIKey is BHCQPKVIKGVCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NOP/c21-20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,21H2.
What are the key properties of N,N-diphenyl-2-phosphanyloxyaniline?
N,N-diphenyl-2-phosphanyloxyaniline has a molecular weight of 293.31 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-phosphanyloxyaniline is sourced from PubChem (CID 141338071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).