N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine

C26H37N2O2P — CID 70425098

IUPACN-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine
SMILESCNP(=O)(NC)OCc1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H37N2O2P/c1-19(16-20-8-10-21(11-9-20)18-30-31(29,27-6)28-7)22-12-13-23-24(17-22)26(4,5)15-14-25(23,2)3/h8-13,16-17H,14-15,18H2,1-7H3,(H2,27,28,29)/b19-16+
InChIKeyWRYGSLWHPROJLL-KNTRCKAVSA-N
MW440.57 g/mol
LogP6.66
Rot. Bonds7

About N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine

N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine (PubChem CID 70425098) has the molecular formula C26H37N2O2P and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine.

Molecular Properties

Compound NameN-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine
PubChem CID70425098
Molecular FormulaC26H37N2O2P
Molecular Weight440.57 g/mol
Exact Mass440.26
IUPAC NameN-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine
SMILESCNP(=O)(NC)OCc1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H37N2O2P/c1-19(16-20-8-10-21(11-9-20)18-30-31(29,27-6)28-7)22-12-13-23-24(17-22)26(4,5)15-14-25(23,2)3/h8-13,16-17H,14-15,18H2,1-7H3,(H2,27,28,29)/b19-16+
InChIKeyWRYGSLWHPROJLL-KNTRCKAVSA-N
XLogP6.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine?
The IUPAC name of N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine (CID 70425098) is N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine.
What is the SMILES notation for N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine?
The canonical SMILES for N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine is CNP(=O)(NC)OCc1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine?
The InChIKey is WRYGSLWHPROJLL-KNTRCKAVSA-N. The full InChI is InChI=1S/C26H37N2O2P/c1-19(16-20-8-10-21(11-9-20)18-30-31(29,27-6)28-7)22-12-13-23-24(17-22)26(4,5)15-14-25(23,2)3/h8-13,16-17H,14-15,18H2,1-7H3,(H2,27,28,29)/b19-16+.
What are the key properties of N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine?
N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine has a molecular weight of 440.57 g/mol, XLogP of 6.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine is sourced from PubChem (CID 70425098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).