N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline

C19H18NOP — CID 167203483

IUPACN-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline
SMILESCNc1ccc(Oc2ccc(-c3ccccc3)cc2)c(P)c1
InChIInChI=1S/C19H18NOP/c1-20-16-9-12-18(19(22)13-16)21-17-10-7-15(8-11-17)14-5-3-2-4-6-14/h2-13,20H,22H2,1H3
InChIKeyKACLSFYKXBRQFD-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.69
Rot. Bonds4

About N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline

N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline (PubChem CID 167203483) has the molecular formula C19H18NOP and a molecular weight of 307.33 g/mol. Its IUPAC name is N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline.

Molecular Properties

Compound NameN-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline
PubChem CID167203483
Molecular FormulaC19H18NOP
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC NameN-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline
SMILESCNc1ccc(Oc2ccc(-c3ccccc3)cc2)c(P)c1
InChIInChI=1S/C19H18NOP/c1-20-16-9-12-18(19(22)13-16)21-17-10-7-15(8-11-17)14-5-3-2-4-6-14/h2-13,20H,22H2,1H3
InChIKeyKACLSFYKXBRQFD-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-4-phenoxyaniline
CID 143188330
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
N-methyl-5-(4-phenylphenoxy)pyridin-3-amine
CID 104536254
ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
CID 144508046
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
CID 176688686
N-methylazulen-2-amine
CID 175045574
1-N-methyl-4-phenylbenzene-1,3-diamine
CID 68787466
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline?
The IUPAC name of N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline (CID 167203483) is N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline.
What is the SMILES notation for N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline?
The canonical SMILES for N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline is CNc1ccc(Oc2ccc(-c3ccccc3)cc2)c(P)c1.
What is the InChIKey of N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline?
The InChIKey is KACLSFYKXBRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NOP/c1-20-16-9-12-18(19(22)13-16)21-17-10-7-15(8-11-17)14-5-3-2-4-6-14/h2-13,20H,22H2,1H3.
What are the key properties of N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline?
N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline has a molecular weight of 307.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline is sourced from PubChem (CID 167203483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).