N,N,3-trimethyl-2-phenyl-6-phosphanylaniline

C15H18NP — CID 54385192

IUPACN,N,3-trimethyl-2-phenyl-6-phosphanylaniline
SMILESCc1ccc(P)c(N(C)C)c1-c1ccccc1
InChIInChI=1S/C15H18NP/c1-11-9-10-13(17)15(16(2)3)14(11)12-7-5-4-6-8-12/h4-10H,17H2,1-3H3
InChIKeyVCSQDVOFVZBOEM-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.23
Rot. Bonds2

About N,N,3-trimethyl-2-phenyl-6-phosphanylaniline

N,N,3-trimethyl-2-phenyl-6-phosphanylaniline (PubChem CID 54385192) has the molecular formula C15H18NP and a molecular weight of 243.29 g/mol. Its IUPAC name is N,N,3-trimethyl-2-phenyl-6-phosphanylaniline.

Molecular Properties

Compound NameN,N,3-trimethyl-2-phenyl-6-phosphanylaniline
PubChem CID54385192
Molecular FormulaC15H18NP
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC NameN,N,3-trimethyl-2-phenyl-6-phosphanylaniline
SMILESCc1ccc(P)c(N(C)C)c1-c1ccccc1
InChIInChI=1S/C15H18NP/c1-11-9-10-13(17)15(16(2)3)14(11)12-7-5-4-6-8-12/h4-10H,17H2,1-3H3
InChIKeyVCSQDVOFVZBOEM-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
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,N,3-trimethyl-2-phenyl-6-phosphanylaniline?
The IUPAC name of N,N,3-trimethyl-2-phenyl-6-phosphanylaniline (CID 54385192) is N,N,3-trimethyl-2-phenyl-6-phosphanylaniline.
What is the SMILES notation for N,N,3-trimethyl-2-phenyl-6-phosphanylaniline?
The canonical SMILES for N,N,3-trimethyl-2-phenyl-6-phosphanylaniline is Cc1ccc(P)c(N(C)C)c1-c1ccccc1.
What is the InChIKey of N,N,3-trimethyl-2-phenyl-6-phosphanylaniline?
The InChIKey is VCSQDVOFVZBOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NP/c1-11-9-10-13(17)15(16(2)3)14(11)12-7-5-4-6-8-12/h4-10H,17H2,1-3H3.
What are the key properties of N,N,3-trimethyl-2-phenyl-6-phosphanylaniline?
N,N,3-trimethyl-2-phenyl-6-phosphanylaniline has a molecular weight of 243.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-phenyl-6-phosphanylaniline is sourced from PubChem (CID 54385192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).