1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine

C27H36N3P — CID 15863316

IUPAC1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1P(c1ccccc1CN(C)C)c1ccccc1CN(C)C
InChIInChI=1S/C27H36N3P/c1-28(2)19-22-13-7-10-16-25(22)31(26-17-11-8-14-23(26)20-29(3)4)27-18-12-9-15-24(27)21-30(5)6/h7-18H,19-21H2,1-6H3
InChIKeyYGJWHJSDBSZRIN-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.63
Rot. Bonds9

About 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine

1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine (PubChem CID 15863316) has the molecular formula C27H36N3P and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine
PubChem CID15863316
Molecular FormulaC27H36N3P
Molecular Weight433.58 g/mol
Exact Mass433.26
IUPAC Name1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1P(c1ccccc1CN(C)C)c1ccccc1CN(C)C
InChIInChI=1S/C27H36N3P/c1-28(2)19-22-13-7-10-16-25(22)31(26-17-11-8-14-23(26)20-29(3)4)27-18-12-9-15-24(27)21-30(5)6/h7-18H,19-21H2,1-6H3
InChIKeyYGJWHJSDBSZRIN-UHFFFAOYSA-N
XLogP3.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine (CID 15863316) is 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1P(c1ccccc1CN(C)C)c1ccccc1CN(C)C.
What is the InChIKey of 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is YGJWHJSDBSZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N3P/c1-28(2)19-22-13-7-10-16-25(22)31(26-17-11-8-14-23(26)20-29(3)4)27-18-12-9-15-24(27)21-30(5)6/h7-18H,19-21H2,1-6H3.
What are the key properties of 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine?
1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 433.58 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis[2-[(dimethylamino)methyl]phenyl]phosphanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 15863316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).