methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate

C26H41N2O4P — CID 70425103

About methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate

methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate (PubChem CID 70425103) has the molecular formula C26H41N2O4P and a molecular weight of 476.60 g/mol. Its IUPAC name is methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate
• PubChem CID: 70425103
• Molecular Formula: C26H41N2O4P
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.28
• IUPAC Name: methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate
• SMILES: CC(=Cc1ccc(COP(=O)(O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.CN.CN
• InChI: InChI=1S/C24H31O4P.2CH5N/c1-17(14-18-6-8-19(9-7-18)16-28-29(25,26)27)20-10-11-21-22(15-20)24(4,5)13-12-23(21,2)3;2*1-2/h6-11,14-15H,12-13,16H2,1-5H3,(H2,25,26,27);2*2H2,1H3
• InChIKey: MZLFTUBMIWSWFW-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 118.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate?

The IUPAC name of methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate (CID 70425103) is methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate.

What is the SMILES notation for methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate?

The canonical SMILES for methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate is CC(=Cc1ccc(COP(=O)(O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.CN.CN.

What is the InChIKey of methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate?

The InChIKey is MZLFTUBMIWSWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31O4P.2CH5N/c1-17(14-18-6-8-19(9-7-18)16-28-29(25,26)27)20-10-11-21-22(15-20)24(4,5)13-12-23(21,2)3;2*1-2/h6-11,14-15H,12-13,16H2,1-5H3,(H2,25,26,27);2*2H2,1H3.

What are the key properties of methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate?

methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate has a molecular weight of 476.60 g/mol, XLogP of 5.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methanamine;[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate is sourced from PubChem (CID 70425103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).