2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine

C24H23F5NO3P — CID 142381576

IUPAC2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine
SMILESCc1ccccc1COCC(C)(C)NP(Oc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H23F5NO3P/c1-15-9-7-8-10-16(15)13-31-14-24(2,3)30-34(32-17-11-5-4-6-12-17)33-23-21(28)19(26)18(25)20(27)22(23)29/h4-12,30H,13-14H2,1-3H3
InChIKeyQVCIBRXAWZICOS-UHFFFAOYSA-N
MW499.42 g/mol
LogP6.96
Rot. Bonds10

About 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine

2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine (PubChem CID 142381576) has the molecular formula C24H23F5NO3P and a molecular weight of 499.42 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine
PubChem CID142381576
Molecular FormulaC24H23F5NO3P
Molecular Weight499.42 g/mol
Exact Mass499.13
IUPAC Name2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine
SMILESCc1ccccc1COCC(C)(C)NP(Oc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H23F5NO3P/c1-15-9-7-8-10-16(15)13-31-14-24(2,3)30-34(32-17-11-5-4-6-12-17)33-23-21(28)19(26)18(25)20(27)22(23)29/h4-12,30H,13-14H2,1-3H3
InChIKeyQVCIBRXAWZICOS-UHFFFAOYSA-N
XLogP6.96
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine (CID 142381576) is 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine is Cc1ccccc1COCC(C)(C)NP(Oc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine?
The InChIKey is QVCIBRXAWZICOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5NO3P/c1-15-9-7-8-10-16(15)13-31-14-24(2,3)30-34(32-17-11-5-4-6-12-17)33-23-21(28)19(26)18(25)20(27)22(23)29/h4-12,30H,13-14H2,1-3H3.
What are the key properties of 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine?
2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine has a molecular weight of 499.42 g/mol, XLogP of 6.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphanyl]propan-2-amine is sourced from PubChem (CID 142381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).