[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine

C28H30NO3P — CID 174484968

IUPAC[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine
SMILESCc1ccccc1OP(OCN)(Oc1ccccc1)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C28H30NO3P/c1-22-13-7-10-18-26(22)32-33(30-21-29,27-19-11-8-14-23(27)2,28-20-12-9-15-24(28)3)31-25-16-5-4-6-17-25/h4-20H,21,29H2,1-3H3
InChIKeyXZXKYMZOMNTLMF-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.95
Rot. Bonds8

About [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine

[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine (PubChem CID 174484968) has the molecular formula C28H30NO3P and a molecular weight of 459.53 g/mol. Its IUPAC name is [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine.

Molecular Properties

Compound Name[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine
PubChem CID174484968
Molecular FormulaC28H30NO3P
Molecular Weight459.53 g/mol
Exact Mass459.20
IUPAC Name[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine
SMILESCc1ccccc1OP(OCN)(Oc1ccccc1)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C28H30NO3P/c1-22-13-7-10-18-26(22)32-33(30-21-29,27-19-11-8-14-23(27)2,28-20-12-9-15-24(28)3)31-25-16-5-4-6-17-25/h4-20H,21,29H2,1-3H3
InChIKeyXZXKYMZOMNTLMF-UHFFFAOYSA-N
XLogP5.95
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine 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

methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane
CID 174535694
(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane
CID 174806887
hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174541027
ethene;(2-methylphenoxy)methanamine
CID 174405951
(2-methylphenyl) cyanate;phenyl cyanate
CID 142108602
ethane;1-methyl-2-phenoxybenzene
CID 90950955
[2,6-dimethyl-4-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 81050871
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane
CID 174625067
hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174641097
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545

Frequently Asked Questions

What is the IUPAC name of [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine?
The IUPAC name of [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine (CID 174484968) is [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine.
What is the SMILES notation for [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine?
The canonical SMILES for [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine is Cc1ccccc1OP(OCN)(Oc1ccccc1)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine?
The InChIKey is XZXKYMZOMNTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30NO3P/c1-22-13-7-10-18-26(22)32-33(30-21-29,27-19-11-8-14-23(27)2,28-20-12-9-15-24(28)3)31-25-16-5-4-6-17-25/h4-20H,21,29H2,1-3H3.
What are the key properties of [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine?
[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine has a molecular weight of 459.53 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine is sourced from PubChem (CID 174484968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).